SCHEMBL7992224

SCHEMBL7992224

CCOC(=O)c1cnc2cc(C)cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAOB P27338 5/20 0.52
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL16047061 0.85 CA12 (0.54) CYP2C9CYP2C19MAOBNPC1RAB9A
SCHEMBL1285459 0.84 CYP2C19 (0.50) CYP2C9CYP2C19MAOBNPC1RAB9A
SCHEMBL31403713 0.83 MAOB (0.60) CYP2C9CYP2C19MAOBNPC1RAB9A
SCHEMBL1023777 0.81 NPC1 (0.54) CYP2C9CYP2C19MAOBNPC1RAB9A
SCHEMBL8001650 0.81 MAOB (0.71) CYP2C9CYP2C19MAOBNPC1RAB9A
SCHEMBL10465995 0.80 MAOB (0.65) CYP2C9CYP2C19MAOBNPC1RAB9A
SCHEMBL1284881 0.79 CYP2C9 (0.46) CYP2C9CYP2C19MAOBNPC1RAB9A
SCHEMBL30908235 0.79 NPC1 (0.49) CYP2C9CYP2C19MAOBNPC1RAB9A
SCHEMBL4430795 0.78 NPC1 (0.57) MAOBNPC1RAB9ACA12CA1
SCHEMBL27122915 0.78 NPC1 (0.48) CYP2C9CYP2C19MAOBNPC1RAB9A

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 CYP2C9 398/4885CYP2C19 198/4885MAOB 99/4885

“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.