SCHEMBL8004763

SCHEMBL8004763

CCC(=O)N1CCc2cc(C)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
RAB9A P51151 4/20 0.51
TSHR P16473 3/20 0.50
DPP8 Q6V1X1 2/20 0.49
DPP9 Q86TI2 2/20 0.49
DPP7 Q9UHL4 1/20 0.49
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.47
TMPRSS2 O15393 1/20 0.45
NOTUM Q6P988 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
KDM4E B2RXH2 1/20 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
SCHEMBL22547424 0.84 KDM4E (0.65) MEN1KMT2ARAB9ATSHRALDH1A1
SCHEMBL17572220 0.83 PRMT5 (0.50) MEN1KMT2ARAB9ATSHRDPP8
SCHEMBL7992940 0.83 NOTUM (0.65) MEN1KMT2ARAB9ADPP8DPP9
SCHEMBL20910259 0.82 MEN1 (0.56) MEN1KMT2ARAB9ATSHRDPP8
SCHEMBL303340 0.81 NOTUM (0.67) MEN1KMT2ARAB9ATSHRDPP8
SCHEMBL13487186 0.81 NOTUM (0.67) MEN1KMT2ARAB9ATSHRDPP8
SCHEMBL15975450 0.81 MEN1 (0.53) MEN1KMT2ARAB9ATSHRDPP8
SCHEMBL24682498 0.79 RAB9A (0.56) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL20909793 0.79 KIF11 (0.48) MEN1KMT2ARAB9ADPP8DPP9
SCHEMBL8108171 0.79 ESR2 (0.53) MEN1KMT2ARAB9AALDH1A1HPGD

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 MEN1 3407/4885KMT2A 1541/4885RAB9A 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.