SCHEMBL1033529

SCHEMBL1033529

CC1CN(C(=O)Nc2cnoc2)CCC1=Cc1cccc(OCCc2ccsc2)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 2/20 0.34
FAAH O00519 7/20 0.33
GCK P35557 1/20 0.32
AKR1B1 P15121 2/20 0.32
PTPN1 P18031 2/20 0.32
GPR55 Q9Y2T6 1/20 0.32
HPGD P15428 1/20 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
LNPEP Q9UIQ6 1/20 0.31
PPARG P37231 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
SCHEMBL1033527 1.00 CYP3A4 (0.34) CYP3A4CYP2D6OGAFAAHGCK
SCHEMBL1033419 0.91 FAAH (0.40) CYP3A4CYP2D6OGAFAAHAKR1B1
SCHEMBL1033421 0.91 FAAH (0.40) CYP3A4CYP2D6OGAFAAHAKR1B1
SCHEMBL1034797 0.89 F10 (0.40) CYP3A4CYP2D6FAAHPTPN1F10
SCHEMBL1034795 0.89 F10 (0.40) CYP3A4CYP2D6FAAHPTPN1F10
SCHEMBL1034930 0.89 OGA (0.39) OGAFAAH
SCHEMBL1034929 0.89 OGA (0.39) OGAFAAH
SCHEMBL1039690 0.88 CYP3A4 (0.45) CYP3A4CYP2D6FAAH
SCHEMBL1039058 0.88 CYP3A4 (0.46) CYP3A4CYP2D6OGAFAAHGCK
SCHEMBL1039687 0.88 CYP3A4 (0.45) CYP3A4CYP2D6FAAH

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-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US claimed
EP-2276738-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP claimed
WO-2009127943-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO claimed
US-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US disclosed
EP-2276738-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
WO-2009127943-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED 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-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.