SCHEMBL1037546

SCHEMBL1037546

CCCCOc1cccc(/C=C2\CCN(C(=O)Nc3cnoc3C)CC2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.36
TLR2 O60603 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OGA O60502 1/20 0.36
CYP2D6 P10635 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FAAH O00519 2/20 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

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
SCHEMBL1037547 1.00 TLR4 (0.36) TLR4TLR2MEN1KMT2AOGA
SCHEMBL1037125 0.92 GSK3B (0.37) MEN1KMT2AOGACYP2D6CYP3A4
SCHEMBL1037126 0.92 GSK3B (0.37) MEN1KMT2AOGACYP2D6CYP3A4
SCHEMBL1076067 0.91 GALR3 (0.36) MEN1KMT2AOGACYP2D6CYP3A4
SCHEMBL1076069 0.91 GALR3 (0.36) MEN1KMT2AOGACYP2D6CYP3A4
SCHEMBL1034310 0.91 CYP2D6 (0.38) OGACYP2D6CYP3A4FAAHGABRA1
SCHEMBL1034308 0.91 CYP2D6 (0.38) OGACYP2D6CYP3A4FAAHGABRA1
SCHEMBL1036466 0.91 CYP3A4 (0.36) KMT2AOGACYP2D6CYP3A4POLB
SCHEMBL1036464 0.91 CYP3A4 (0.36) KMT2AOGACYP2D6CYP3A4POLB
SCHEMBL1037095 0.90 PTPN1 (0.39) OGACYP2D6CYP3A4FAAH

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 2211/4885MEN1 3487/4885

“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.