SCHEMBL2680595

SCHEMBL2680595

Cn1cnc(-c2ccc([C@H]3C[C@@H]3C(=O)O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.49
FFAR1 O14842 6/20 0.45
PDE4D Q08499 5/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
FAAH O00519 1/20 0.39
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 3/20 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
SCHEMBL3803873 1.00 FFAR4 (0.49) FFAR4FFAR1PDE4DCYP2C9CYP2E1
SCHEMBL3803876 1.00 FFAR4 (0.49) FFAR4FFAR1PDE4DCYP2C9CYP2E1
SCHEMBL2680264 0.81 FFAR4 (0.45) FFAR4FFAR1PDE4DFAAHPDE4A
SCHEMBL18706423 0.78 FFAR1 (0.36) FFAR4FFAR1PDE4DCYP2C9CYP2E1
SCHEMBL2681877 0.78 ENPP2 (0.48) FFAR4FFAR1PDE4DCYP2C9PDE4A
SCHEMBL3793378 0.78 ENPP2 (0.48) FFAR4FFAR1PDE4DCYP2C9PDE4A
SCHEMBL2681413 0.77 FFAR1 (0.47) FFAR4FFAR1PDE4D
SCHEMBL14658591 0.75 FFAR1 (0.46) FFAR4FFAR1PDE4DCYP2C9PDE4A
SCHEMBL2681027 0.74 FAAH (0.53) FFAR4FFAR1PDE4DFAAHPDE4A
SCHEMBL12427189 0.73 CYP2E1 (0.50) CYP2C9CYP2E1CYP2A6CYP2B6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403338-B1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS MERCK SHARP & DOHME (US) 2017-07-26 EP disclosed
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
WO-2010101724-A1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS MERCK SHARP & DOHME CORP. (US) 2010-09-10 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 (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-20120115894-A1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS FAAH, FAAH2, INMT FFAR4 13/4885FFAR1 56/4885PDE4D 393/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 FFAR4 134/4885FFAR1 194/4885PDE4D 463/4885

“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.