SCHEMBL1037573

SCHEMBL1037573

Cc1ccc(NC(=O)N2CCC(=Cc3cccc(OCC4CCCC4)c3)C(C)C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 2/20 0.49
DGAT1 O75907 10/20 0.40
SOAT1 P35610 2/20 0.40
FAAH O00519 1/20 0.39
POLB P06746 1/20 0.38
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
CCR3 P51677 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SOAT2 O75908 1/20 0.36
DGAT2 Q96PD7 1/20 0.36

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
SCHEMBL1037571 1.00 CYP3A4 (0.49) CYP3A4CYP2D6DGAT1SOAT1FAAH
SCHEMBL1077010 0.92 CYP3A4 (0.48) CYP3A4CYP2D6DGAT1SOAT1FAAH
SCHEMBL1077013 0.92 CYP3A4 (0.48) CYP3A4CYP2D6DGAT1SOAT1FAAH
SCHEMBL1037486 0.91 CYP3A4 (0.45) CYP3A4CYP2D6DGAT1SOAT1FAAH
SCHEMBL1037487 0.91 CYP3A4 (0.45) CYP3A4CYP2D6DGAT1SOAT1FAAH
SCHEMBL1075570 0.91 CYP3A4 (0.48) CYP3A4CYP2D6FAAH
SCHEMBL1075568 0.91 CYP3A4 (0.48) CYP3A4CYP2D6FAAH
SCHEMBL1082564 0.90 CYP3A4 (0.47) CYP3A4CYP2D6DGAT1SOAT1FAAH
SCHEMBL1082567 0.90 CYP3A4 (0.47) CYP3A4CYP2D6DGAT1SOAT1FAAH
SCHEMBL1035753 0.89 CYP3A4 (0.51) CYP3A4CYP2D6DGAT1FAAHPOLB

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 382/4885DGAT1 112/4885

“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.