SCHEMBL4674153

SCHEMBL4674153

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.60
BRD3 Q15059 2/20 0.52
OPRM1 P35372 2/20 0.52
OPRK1 P41145 2/20 0.52
OPRL1 P41146 2/20 0.52
HTR1A P08908 5/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1F P30939 1/20 0.51
SLC6A4 P31645 4/20 0.50
KDM4E B2RXH2 1/20 0.49
BRD4 O60885 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
CREBBP Q92793 1/20 0.49
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL8296791 0.94 HSD11B1 (0.66) HSD11B1BRD3OPRM1OPRK1OPRL1
SCHEMBL4882143 0.91 DRD2 (0.56) HSD11B1BRD3OPRM1OPRL1SLC6A4
SCHEMBL8618496 0.88 CYP1A2 (0.63) HSD11B1HTR1AHTR1DHTR1BHTR1F
SCHEMBL12127418 0.87 KDM4E (0.49) HSD11B1HTR1AHTR1DHTR1BHTR1F
SCHEMBL892836 0.87 OPRM1 (0.53) OPRM1OPRK1OPRL1HTR1AHTR1D
SCHEMBL6212815 0.87 HTR1D (0.62) HSD11B1HTR1AHTR1DHTR1BHTR1F
SCHEMBL30567991 0.87 OPRM1 (0.53) OPRM1OPRK1OPRL1HTR1AHTR1D
SCHEMBL28380406 0.86 MTNR1A (0.61) HSD11B1HTR1ASLC6A4ALDH1A1DRD2
Hydrochloric Acid SCHEMBL1703941 0.86 OPRM1 (0.52) OPRM1OPRK1OPRL1HTR1AHTR1D
SCHEMBL2263846 0.84 CCR2 (0.52) HSD11B1HTR1AHTR1DHTR1BHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP disclosed
WO-2022078971-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2022-04-21 WO disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP disclosed
CN-111386269-A Novel heterocyclic compound 豪夫迈·罗氏有限公司 2020-07-07 CN disclosed
CN-106045967-B Substituted heterocyclic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed
CN-106045966-B Substituted heterocyclic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed
EP-1945213-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-23 EP disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
WO-2002008223-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2002-01-31 WO disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
CN-1250445-A Sulfamide-metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2000-04-12 CN disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
CN-1209807-A 1-pyrazol-3-yl-ethyl-4-indol-3-yl piperdine as medicine acting on central nervous system MERCK PATENT AG (DE) 1999-03-03 CN disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO 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 (2 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY HSD11B1 1138/4885BRD3 2732/4885OPRM1 549/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY HSD11B1 1138/4885BRD3 2732/4885OPRM1 549/4885

“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.