SCHEMBL10168682

SCHEMBL10168682

CC(C)N1CCCC2(CCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 10/20 0.39
CYP3A4 P08684 9/20 0.39
CYP2D6 P10635 8/20 0.39
CYP1A2 P05177 5/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 7/20 0.37
CYP2C9 P11712 7/20 0.37
CYP2C19 P33261 5/20 0.37
MAPK1 P28482 3/20 0.37
HRH3 Q9Y5N1 1/20 0.33
GRM5 P41594 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 3/20 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
SCHEMBL10168613 0.98 CYP3A4 (0.38) USP2CYP3A4CYP2D6CYP1A2TP53
SCHEMBL12911788 0.95 CYP2D6 (0.39) USP2CYP3A4CYP2D6CYP1A2TP53
SCHEMBL9963381 0.95 CYP2D6 (0.39) USP2CYP3A4CYP2D6CYP1A2TP53
SCHEMBL24789561 0.93 HRH3 (0.35) USP2CYP3A4CYP2D6CYP1A2TP53
SCHEMBL19194218 0.93 CYP2D6 (0.34) USP2CYP3A4CYP2D6CYP1A2TP53
SCHEMBL12911787 0.93 CYP2D6 (0.34) USP2CYP3A4CYP2D6CYP1A2TP53
SCHEMBL14524120 0.93 HRH3 (0.36) USP2CYP3A4CYP2D6CYP1A2TP53
SCHEMBL10111444 0.91 CYP2D6 (0.39) USP2CYP3A4CYP2D6CYP1A2TP53
SCHEMBL19194368 0.91 CYP3A4 (0.33) USP2CYP3A4CYP2D6CYP1A2TP53
SCHEMBL10255913 0.91 CYP2D6 (0.35) USP2CYP3A4CYP2D6CYP1A2TP53

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239813-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2024-07-18 US disclosed
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-23 US disclosed
WO-2023104111-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-06-15 WO disclosed
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 US disclosed
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 US disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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

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

For each of this compound's patents that has machine-readable text (8 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-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 USP2 4001/4885CYP3A4 631/4885CYP2D6 646/4885
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 USP2 2289/4885CYP3A4 4780/4885CYP2D6 4347/4885
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 USP2 2289/4885CYP3A4 4780/4885CYP2D6 4347/4885
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT USP2 4786/4885CYP3A4 3545/4885CYP2D6 2691/4885
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS CYP7A1, SLC10A1, CYP11B2 USP2 4318/4885CYP3A4 35/4885CYP2D6 9/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 USP2 3580/4885CYP3A4 386/4885CYP2D6 437/4885
US-20240239813-A1 KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF KRAS, NRAS, HRAS USP2 1266/4885CYP3A4 3781/4885CYP2D6 2058/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 USP2 4001/4885CYP3A4 631/4885CYP2D6 646/4885

“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.