SCHEMBL12302201

SCHEMBL12302201

CC(=O)C12CCC(c3ccccc3)(CC1)CC2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.55
OPRM1 P35372 4/20 0.44
OPRL1 P41146 4/20 0.44
AKR1C1 Q04828 1/20 0.42
NOTUM Q6P988 1/20 0.39
HDAC4 P56524 2/20 0.38
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
USP2 O75604 1/20 0.38
OPRK1 P41145 1/20 0.38
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2452042 0.83 PNMT (0.59) PNMTOPRM1OPRL1AKR1C1HDAC4
SCHEMBL30934615 0.82 OPRM1 (0.42) PNMTOPRM1OPRL1AKR1C1HDAC4
SCHEMBL16407785 0.81 MAPT (0.39) PNMTDGAT1SOAT1TSHRLMNA
SCHEMBL2453099 0.80 PNMT (0.55) PNMTOPRM1OPRL1AKR1C1HDAC4
SCHEMBL1502311 0.79 MEN1 (0.51) PNMTOPRM1OPRL1AKR1C1HDAC4
SCHEMBL2452508 0.77 PNMT (0.52) PNMTAKR1C1HDAC4DGAT1SOAT1
SCHEMBL12759763 0.77 LMNA (0.38) PNMTDGAT1SOAT1TSHRLMNA
SCHEMBL12759755 0.77 DGAT1 (0.36) PNMTDGAT1SOAT1
SCHEMBL21130940 0.77 PGR (0.46) TSHRALDH1A1
SCHEMBL20743587 0.76 PNMT (0.50) PNMTOPRM1OPRL1AKR1C1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 US disclosed
US-7915252-B2 Sulfonyl compounds as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME (US) 2011-03-29 US disclosed
US-20080318930-A1 Sulfonyl Compound as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2008-12-25 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 (5 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-20080318930-A1 Sulfonyl Compound as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD17B1, HSD11B2 PNMT 3006/4885OPRM1 1665/4885OPRL1 3610/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 PNMT 3609/4885OPRM1 3047/4885OPRL1 4476/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 PNMT 3609/4885OPRM1 3047/4885OPRL1 4476/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS PNMT 3836/4885OPRM1 2996/4885OPRL1 4467/4885
US-20110237579-A1 INHIBITORS OF HCV NS5A MAVS, HAVCR2, EIF2AK2 PNMT 3134/4885OPRM1 2882/4885OPRL1 3645/4885

“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.