SCHEMBL1037472

SCHEMBL1037472

CC1CN(C(=O)Nc2cnoc2)CCC1=Cc1cccc(OCC2CCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
POLB P06746 1/20 0.35
OGA O60502 1/20 0.35
PTPN1 P18031 1/20 0.35
CCR3 P51677 3/20 0.34
FAAH O00519 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
KDM1A O60341 1/20 0.34
GABRA1 P14867 1/20 0.34
ADRA2C P18825 1/20 0.34
CNR1 P21554 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CNR2 P34972 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL1037470 1.00 TLR4 (0.36) TLR4TLR2CYP3A4CYP2D6POLB
SCHEMBL1037046 0.92 CYP3A4 (0.36) CYP3A4CYP2D6OGAPTPN1CCR3
SCHEMBL1037045 0.92 CYP3A4 (0.36) CYP3A4CYP2D6OGAPTPN1CCR3
SCHEMBL6525599 0.90 CYP3A4 (0.34) CYP3A4CYP2D6POLBOGAPTPN1
SCHEMBL6525596 0.90 CYP3A4 (0.34) CYP3A4CYP2D6POLBOGAPTPN1
SCHEMBL1035342 0.89 CYP3A4 (0.38) CYP3A4CYP2D6POLBOGACCR3
SCHEMBL1035341 0.89 CYP3A4 (0.38) CYP3A4CYP2D6POLBOGACCR3
SCHEMBL1035612 0.88 FAAH (0.38) TLR4TLR2CYP3A4CYP2D6POLB
SCHEMBL1035611 0.88 FAAH (0.38) TLR4TLR2CYP3A4CYP2D6POLB
SCHEMBL1035852 0.87 CYP3A4 (0.46) TLR4TLR2CYP3A4CYP2D6OGA

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 TLR4 2819/4885TLR2 2211/4885CYP3A4 524/4885

“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.