SCHEMBL1077445

SCHEMBL1077445

CCOc1cccc(C=C2CCN(C(=O)Nc3cccnc3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.67
CYP2D6 P10635 4/20 0.67
KIT P10721 1/20 0.51
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
FAAH O00519 6/20 0.49
GABRA1 P14867 1/20 0.49
ADRA2C P18825 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
HTR2B P41595 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL1039911 0.92 CYP3A4 (0.64) CYP3A4CYP2D6HTR2AHTR2CALDH1A1
SCHEMBL1010134 0.91 CYP3A4 (0.75) CYP3A4CYP2D6KITHTR2AHTR2C
SCHEMBL1040043 0.89 CYP3A4 (0.67) CYP3A4CYP2D6KITHTR2AHTR2C
SCHEMBL1075950 0.89 CYP3A4 (0.63) CYP3A4CYP2D6HTR2AHTR2CALDH1A1
SCHEMBL1038384 0.89 CYP3A4 (0.62) CYP3A4CYP2D6KITHTR2AHTR2C
SCHEMBL1040617 0.88 CYP3A4 (0.62) CYP3A4CYP2D6HTR2AHTR2CFAAH
SCHEMBL1963824 0.88 CYP3A4 (0.62) CYP3A4CYP2D6HTR2AHTR2CFAAH
SCHEMBL1010602 0.88 CYP3A4 (0.64) CYP3A4CYP2D6HTR2AHTR2CALDH1A1
SCHEMBL1038795 0.88 CYP3A4 (0.61) CYP3A4CYP2D6HTR2AHTR2CFAAH
SCHEMBL1036070 0.88 CYP3A4 (0.65) CYP3A4CYP2D6HTR2AHTR2CALDH1A1

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-20110144159-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC 2011-06-16 US claimed
EP-2276735-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP claimed
WO-2009127944-A1 ETHER BENZYLIDENE PIPERIDINE 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-20110144159-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, PAH CYP3A4 329/4885CYP2D6 382/4885KIT 1086/4885

“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.