SCHEMBL8002496

SCHEMBL8002496

CCn1cc(Sc2ccc(OC)cc2)c(-c2ccc(C3CC3C(=O)O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
GPR88 Q9GZN0 1/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SLC6A9 P48067 4/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL12552225 0.93 FAAH (0.56) FAAHNPC1RAB9AMAPTGPR88
SCHEMBL8007131 0.88 FAAH (0.44) FAAHNPC1RAB9AMAPTGPR88
SCHEMBL8004670 0.78 FAAH (0.54) FAAHNPC1RAB9AFFAR4PDE4D
SCHEMBL12552264 0.78 FAAH (0.54) FAAHFFAR4PDE4D
SCHEMBL8010243 0.74 FAAH (0.69) FAAHFFAR4
SCHEMBL18596476 0.73 RAB9A (0.57) NPC1RAB9AMAPTGPR88KMT2A
SCHEMBL432751 0.73 RAB9A (0.57) NPC1RAB9AMAPTGPR88KMT2A
SCHEMBL7001425 0.73 RAB9A (0.57) NPC1RAB9AMAPTGPR88KMT2A
SCHEMBL10289077 0.73 RAB9A (0.57) NPC1RAB9AMAPTGPR88KMT2A
SCHEMBL12552197 0.72 FAAH (0.85) FAAHFFAR4PDE4D

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 1/4885NPC1 1092/4885RAB9A 2979/4885

“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.