SCHEMBL1039911

SCHEMBL1039911

CCCCOc1cccc(C=C2CCN(C(=O)Nc3cccnc3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.64
CYP2D6 P10635 4/20 0.64
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.51
FAAH O00519 10/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
GABRA1 P14867 1/20 0.47
ADRA2C P18825 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
HTR2B P41595 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
EPHX2 P34913 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL1077445 0.92 CYP3A4 (0.67) CYP3A4CYP2D6MAPK1ALDH1A1TSHR
SCHEMBL1075950 0.90 CYP3A4 (0.63) CYP3A4CYP2D6MAPK1ALDH1A1TSHR
SCHEMBL1040617 0.90 CYP3A4 (0.62) CYP3A4CYP2D6MAPK1TSHRFAAH
SCHEMBL1035889 0.89 CYP3A4 (0.65) CYP3A4CYP2D6MAPK1ALDH1A1TSHR
SCHEMBL1038795 0.89 CYP3A4 (0.61) CYP3A4CYP2D6MAPK1TSHRFAAH
SCHEMBL1961322 0.89 CYP3A4 (0.68) CYP3A4CYP2D6MAPK1ALDH1A1TSHR
SCHEMBL1039029 0.89 CYP3A4 (0.63) CYP3A4CYP2D6FAAHHTR2AHTR2C
SCHEMBL1960779 0.88 CYP3A4 (0.64) CYP3A4CYP2D6FAAHHTR2AHTR2C
SCHEMBL1037853 0.88 CYP3A4 (0.62) CYP3A4CYP2D6FAAHHTR2AHTR2C
SCHEMBL1040043 0.87 CYP3A4 (0.67) CYP3A4CYP2D6ALDH1A1TSHRFAAH

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 disclosed
EP-2276735-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
WO-2009127944-A1 ETHER BENZYLIDENE 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-20110144159-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, PAH CYP3A4 329/4885CYP2D6 382/4885MAPK1 2099/4885

“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.