SCHEMBL10168613

SCHEMBL10168613

CC(C)N1CCCC2(CCCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.38
USP2 O75604 7/20 0.38
CYP2D6 P10635 6/20 0.38
CYP1A2 P05177 4/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 6/20 0.36
CYP2C9 P11712 5/20 0.36
CYP2C19 P33261 4/20 0.36
MAPK1 P28482 3/20 0.36
GRM5 P41594 1/20 0.35
NPSR1 Q6W5P4 4/20 0.34
LMNA P02545 3/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10168682 0.98 USP2 (0.39) CYP3A4USP2CYP2D6CYP1A2TP53
SCHEMBL12911787 0.95 CYP2D6 (0.34) CYP3A4USP2CYP2D6CYP1A2TP53
SCHEMBL19194368 0.93 CYP3A4 (0.33) CYP3A4USP2CYP2D6CYP1A2TP53
SCHEMBL9963381 0.93 CYP2D6 (0.39) CYP3A4USP2CYP2D6CYP1A2TP53
SCHEMBL12911788 0.93 CYP2D6 (0.39) CYP3A4USP2CYP2D6CYP1A2TP53
SCHEMBL24789561 0.91 HRH3 (0.35) CYP3A4USP2CYP2D6CYP1A2TP53
SCHEMBL19194218 0.91 CYP2D6 (0.34) CYP3A4USP2CYP2D6CYP1A2TP53
SCHEMBL13910198 0.91 CYP2D6 (0.34) CYP3A4USP2CYP2D6CYP1A2TP53
SCHEMBL19194369 0.91 CYP2D6 (0.34) CYP3A4USP2CYP2D6CYP1A2TP53
SCHEMBL14524120 0.91 HRH3 (0.36) CYP3A4USP2CYP2D6CYP1A2TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230203039-A1 MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT BRISTOL MYERS SQUIBB CO (US) 2023-06-29 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 US disclosed
WO-2019043018-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2019-03-07 WO disclosed
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2019-03-07 US disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9856267-B2 CARM1 inhibitors and uses thereof Epizyme, Inc. (US) 2018-01-02 US disclosed
US-20170320883-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. 2017-11-09 US disclosed
US-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 US disclosed
US-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2011-10-13 US disclosed
US-8017638-B2 Isoxazole derivative and isothiazole derivative having inhibitory activity on 11β-hydroxysteroid dehydrogenase type 1 SHIONOGI & CO., LTD. (JP) 2011-09-13 US disclosed
US-8017638-B2 Isoxazole derivative and isothiazole derivative having inhibitory activity on 11β-hydroxysteroid dehydrogenase type 1 SHIONOGI & CO., LTD. (JP) 2011-09-13 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
US-20100240659-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-09-23 US disclosed
US-20100197662-A1 HETEROCYCLIC COMPOUND HAVING TYPE I 11 BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-08-05 US disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100240659-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY HSD11B1, HSD3B1, SRD5A1 CYP3A4 121/4885USP2 2934/4885CYP2D6 182/4885
US-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, LIPA CYP3A4 741/4885USP2 539/4885CYP2D6 581/4885
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 CYP3A4 4379/4885USP2 345/4885CYP2D6 4525/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 CYP3A4 631/4885USP2 4001/4885CYP2D6 646/4885
US-20100197662-A1 HETEROCYCLIC COMPOUND HAVING TYPE I 11 BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD11B1, HSD3B1, HSD11B2 CYP3A4 208/4885USP2 2868/4885CYP2D6 199/4885
US-20230203039-A1 MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT PADI4, PADI1, PADI2 CYP3A4 85/4885USP2 986/4885CYP2D6 429/4885
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I HSD3B1, NR5A1, HSD11B1 CYP3A4 138/4885USP2 3636/4885CYP2D6 171/4885
US-20170320883-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, TIAM1, ADRM1 CYP3A4 1387/4885USP2 2753/4885CYP2D6 1699/4885
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD17B1, HSD11B1, HSD3B1 CYP3A4 136/4885USP2 4142/4885CYP2D6 85/4885
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS CYP7A1, SLC10A1, CYP11B2 CYP3A4 35/4885USP2 4318/4885CYP2D6 9/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 CYP3A4 386/4885USP2 3580/4885CYP2D6 437/4885
US-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF PPIG, PPIH, FKBP2 CYP3A4 1985/4885USP2 1179/4885CYP2D6 1688/4885
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 CYP3A4 1395/4885USP2 2650/4885CYP2D6 1593/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 CYP3A4 233/4885USP2 538/4885CYP2D6 460/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.