SCHEMBL8007730

SCHEMBL8007730

CCn1nnnc1-c1ccc(-c2nn(-c3ccccc3)cc2Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.53
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
PTGS2 P35354 5/20 0.42
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
KDM4E B2RXH2 2/20 0.42
DRD2 P14416 1/20 0.42
PTGES O14684 1/20 0.40
NR1H3 Q13133 1/20 0.40
AURKA O14965 1/20 0.40
MAPT P10636 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
SCHEMBL1959577 0.87 FAAH (0.56) FAAHKCNH2CNR1CNR2GPR55
SCHEMBL12551758 0.82 FAAH (0.55) FAAHKCNH2ALDH1A1CNR1CNR2
SCHEMBL1961250 0.78 FAAH (0.57) FAAHKCNH2ALDH1A1CNR1CNR2
SCHEMBL1535247 0.78 FAAH (0.57) FAAHKCNH2CNR1CNR2GPR55
SCHEMBL1964011 0.78 FAAH (0.64) FAAHKCNH2ALDH1A1CNR1CNR2
SCHEMBL1535159 0.77 FAAH (0.61) FAAHKCNH2ALDH1A1PTGS2CCNE1
SCHEMBL1535304 0.77 FAAH (0.56) FAAHKCNH2ALDH1A1KDM4EDRD2
SCHEMBL1535333 0.77 FAAH (0.56) FAAHKCNH2ALDH1A1PTGS2CCNE1
SCHEMBL15070809 0.76 FAAH (0.60) FAAHKCNH2ALDH1A1CNR1CNR2
SCHEMBL1535355 0.76 FAAH (0.59) FAAHKCNH2CNR1CNR2GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 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 (1 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 FAAH 1/4885KCNH2 930/4885ALDH1A1 1185/4885

“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.