SCHEMBL1037196

SCHEMBL1037196

Cc1oncc1NC(=O)N1CCC(=Cc2cccc(OCC3CCCC3)c2)C(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.38
TLR2 O60603 2/20 0.38
OGA O60502 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
KDM1A O60341 3/20 0.34
ACACB O00763 2/20 0.34
FAAH O00519 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
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1037195 1.00 TLR4 (0.38) TLR4TLR2OGACYP3A4CYP2D6
SCHEMBL1076578 0.92 CYP3A4 (0.34) TLR4TLR2OGACYP3A4CYP2D6
SCHEMBL1076580 0.92 CYP3A4 (0.34) TLR4TLR2OGACYP3A4CYP2D6
SCHEMBL1036891 0.90 CYP3A4 (0.33) TLR4TLR2OGACYP3A4CYP2D6
SCHEMBL1036890 0.90 CYP3A4 (0.33) TLR4TLR2OGACYP3A4CYP2D6
SCHEMBL1036466 0.89 CYP3A4 (0.36) OGACYP3A4CYP2D6ACACBFAAH
SCHEMBL1036464 0.89 CYP3A4 (0.36) OGACYP3A4CYP2D6ACACBFAAH
SCHEMBL1033106 0.89 CYP3A4 (0.44) TLR4TLR2OGACYP3A4CYP2D6
SCHEMBL1037546 0.88 TLR4 (0.36) TLR4TLR2OGACYP3A4CYP2D6
SCHEMBL1037125 0.88 GSK3B (0.37) OGACYP3A4CYP2D6FAAHGABRA1

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 2211/4885OGA 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.