SCHEMBL2680689

SCHEMBL2680689

CC1(C)OB(c2ccc([C@@H]3C[C@H]3C(=O)O)cc2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.48
LIPG Q9Y5X9 6/20 0.45
LPL P06858 5/20 0.45
P4HB P07237 1/20 0.43
F11 P03951 3/20 0.42
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL4715906 1.00 FFAR1 (0.48) FFAR1LIPGLPLP4HBF11
SCHEMBL31752048 1.00 FFAR1 (0.48) FFAR1LIPGLPLP4HBF11
SCHEMBL17548446 0.85 P4HB (0.50) FFAR1LIPGLPLP4HBF11
SCHEMBL31195077 0.85 LIPG (0.42) LIPGLPLP4HBF11F2
SCHEMBL2032258 0.85 ATM (0.42) LIPGLPLP4HBCA1CA2
SCHEMBL16283845 0.85 ATM (0.42) LIPGLPLP4HBCA1CA2
SCHEMBL22264948 0.83 FFAR1 (0.41) FFAR1LIPGLPLP4HBALDH1A1
SCHEMBL22264949 0.83 FFAR1 (0.41) FFAR1LIPGLPLP4HBALDH1A1
SCHEMBL6510 0.81 LIPG (0.40) LIPGLPLP4HBF11CA1
SCHEMBL10517 0.81 LIPG (0.40) LIPGLPLP4HBF11CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664253-B2 Imidazole derivatives useful as modulators of FAAH and as FAAH imaging agents MERCK SHARP & DOHME CORP (US) 2014-03-04 US disclosed
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS MERCK SHARP & DOHME CORP. 2013-01-31 US disclosed
US-20120115894-A1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS MERCK SHARP & DOHME CORP. (US) 2012-05-10 US disclosed
EP-1565464-B1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-07-23 EP disclosed
US-7342024-B2 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROST CANADA LTD. (CA) 2008-03-11 US disclosed
US-7238706-B2 4-oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2007-07-03 US disclosed
EP-1633306-A4 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO INC (US) 2007-05-16 EP disclosed
US-20060258668-A1 Use of phosphatase inhibitors as adjunct therapy for psychiatric disorders MERCK & CO., INC. 2006-11-16 US disclosed
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-03-16 US disclosed
EP-1633306-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2006-03-15 EP disclosed
EP-1565464-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-08-24 EP disclosed
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK CANADA INC. (CA) 2005-05-19 US disclosed
WO-2004105698-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-12-09 WO disclosed
WO-2004048374-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-06-10 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 (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-20060258668-A1 Use of phosphatase inhibitors as adjunct therapy for psychiatric disorders PPP3CA, PTPA, PPP3CB FFAR1 4715/4885LIPG 4508/4885LPL 1885/4885
US-20120115894-A1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS FAAH, FAAH2, INMT FFAR1 56/4885LIPG 1549/4885LPL 1765/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 FFAR1 194/4885LIPG 1010/4885LPL 2002/4885
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 FFAR1 962/4885LIPG 1362/4885LPL 1548/4885
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 FFAR1 1062/4885LIPG 1231/4885LPL 1852/4885

“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.