SCHEMBL1035440

SCHEMBL1035440

Cc1onc(NC(=O)N2CCC(=Cc3ccc(F)c(C(F)(F)F)c3)C(C)C2)c1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.39
PDE2A O00408 1/20 0.32
P2RX7 Q99572 1/20 0.31
GPR183 P32249 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
NOTUM Q6P988 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
TRPV1 Q8NER1 2/20 0.30

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
SCHEMBL1035438 1.00 FAAH (0.39) FAAHPDE2AP2RX7GPR183POLB
SCHEMBL1036647 0.91 FAAH (0.43) FAAHPOLBKMT2A
SCHEMBL1036646 0.91 FAAH (0.43) FAAHPOLBKMT2A
SCHEMBL1031991 0.90 FAAH (0.41) FAAHGPR183POLBKMT2A
SCHEMBL1031992 0.90 FAAH (0.41) FAAHGPR183POLBKMT2A
SCHEMBL1037362 0.88 FAAH (0.40) FAAHKMT2A
SCHEMBL1037363 0.88 FAAH (0.40) FAAHKMT2A
SCHEMBL1035034 0.87 P2RX7 (0.33) PDE2AP2RX7NOTUMTAS1R3TAS1R1
SCHEMBL1035033 0.87 P2RX7 (0.33) PDE2AP2RX7NOTUMTAS1R3TAS1R1
SCHEMBL1034577 0.86 FAAH (0.48) FAAHPOLB

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
US-20110053950-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER, INC. 2011-03-03 US claimed
EP-2276734-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP claimed
WO-2009127946-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO claimed

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-20110053950-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885PDE2A 870/4885P2RX7 674/4885

“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.