SCHEMBL6525596

SCHEMBL6525596

CC1CN(C(=O)Nc2cnoc2)CC/C1=C\c1cccc(OCC2CC=CCC2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.34
CYP2D6 P10635 4/20 0.34
OGA O60502 1/20 0.33
FAAH O00519 2/20 0.32
GABRA1 P14867 1/20 0.32
ADRA2C P18825 1/20 0.32
CNR1 P21554 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CNR2 P34972 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PTPN1 P18031 1/20 0.32
BRD4 O60885 1/20 0.31
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
KDM1A O60341 1/20 0.30
DGAT1 O75907 2/20 0.30
POLB P06746 1/20 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
SCHEMBL6525599 1.00 CYP3A4 (0.34) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1037470 0.90 TLR4 (0.36) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1037472 0.90 TLR4 (0.36) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1035472 0.88 CYP3A4 (0.43) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1082567 0.88 CYP3A4 (0.47) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1082564 0.88 CYP3A4 (0.47) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1962116 0.88 CYP3A4 (0.46) CYP3A4CYP2D6FAAHHTR2AHTR2C
SCHEMBL1962114 0.88 CYP3A4 (0.46) CYP3A4CYP2D6FAAHHTR2AHTR2C
SCHEMBL1036891 0.87 CYP3A4 (0.33) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1037045 0.87 CYP3A4 (0.36) CYP3A4CYP2D6OGAFAAHGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US claimed
US-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US 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-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 CYP3A4 524/4885CYP2D6 316/4885OGA 1857/4885

“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.