SCHEMBL1037664

SCHEMBL1037664

CC1CN(C(=O)Nc2ccc(C#N)nc2)CCC1=Cc1cccc(Oc2ccc(Br)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.49
CYP2D6 P10635 4/20 0.49
FAAH O00519 5/20 0.43
HTR2C P28335 7/20 0.42
HTR2A P28223 6/20 0.42
HTR2B P41595 6/20 0.42
GABRA1 P14867 1/20 0.42
ADRA2C P18825 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
AR P10275 1/20 0.35
MLNR O43193 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1037663 1.00 CYP3A4 (0.49) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1035117 0.92 CYP3A4 (0.52) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1035115 0.92 CYP3A4 (0.52) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1037495 0.91 CYP3A4 (0.49) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1037496 0.91 CYP3A4 (0.49) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1033274 0.91 CYP3A4 (0.42) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1033275 0.91 CYP3A4 (0.42) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1037601 0.90 CYP3A4 (0.52) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1037600 0.90 CYP3A4 (0.52) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1037767 0.90 CYP3A4 (0.48) CYP3A4CYP2D6FAAHHTR2CHTR2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053949-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US claimed
EP-2276737-A1 4- [3- (ARYLOXY) BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP claimed
WO-2009127949-A1 4- [3- (ARYLOXY) BENZYLIDENE] -3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO claimed
US-20110053949-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US disclosed
EP-2276737-A1 4- [3- (ARYLOXY) BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
WO-2009127949-A1 4- [3- (ARYLOXY) BENZYLIDENE] -3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 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-20110053949-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 CYP3A4 530/4885CYP2D6 385/4885FAAH 1/4885

“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.