SCHEMBL8002591

SCHEMBL8002591

Cc1ccc2c(c1)CCN(CCF)C2=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.48
GRM5 P41594 2/20 0.48
AOC3 Q16853 2/20 0.45
KCNH2 Q12809 3/20 0.45

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
SCHEMBL14368227 0.85 GRM5 (0.48) HRH3GRM5KCNH2
SCHEMBL8001449 0.83 GRM5 (0.48) HRH3GRM5KCNH2
SCHEMBL8227864 0.83 HRH3 (0.67) HRH3GRM5KCNH2
SCHEMBL22860674 0.83 KDM4E (0.48) HRH3GRM5KCNH2
SCHEMBL12559564 0.82 GRM5 (0.50) HRH3GRM5
SCHEMBL17320372 0.82 GRM5 (0.45) HRH3GRM5AOC3KCNH2
SCHEMBL19565431 0.80 HRH3 (0.44) HRH3GRM5
SCHEMBL18055594 0.79 HRH3 (0.42) HRH3GRM5AOC3
SCHEMBL17320374 0.79 GRM5 (0.43) HRH3GRM5AOC3KCNH2
SCHEMBL12559553 0.78 PARP10 (0.44) HRH3GRM5AOC3

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 3 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
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 HRH3 24/4885GRM5 496/4885AOC3 1314/4885

“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.