SCHEMBL1038593

SCHEMBL1038593

O=C(Nc1cccnn1)N1CCC(=Cc2cccc(OCC3CCCC3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.61
CYP3A4 P08684 4/20 0.61
CYP2D6 P10635 4/20 0.61
GABRA1 P14867 1/20 0.61
ADRA2C P18825 1/20 0.61
CNR1 P21554 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
CNR2 P34972 1/20 0.61
HTR2B P41595 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
OGA O60502 1/20 0.38
SRD5A1 P18405 1/20 0.38

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
SCHEMBL1964667 0.92 FAAH (0.58) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1083088 0.92 FAAH (0.58) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1961394 0.91 FAAH (0.59) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1963367 0.90 FAAH (0.62) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1962197 0.90 FAAH (0.56) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1962195 0.90 FAAH (0.56) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1078074 0.90 FAAH (0.58) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1039261 0.89 FAAH (0.57) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1040518 0.89 FAAH (0.57) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1040115 0.88 FAAH (0.56) FAAHCYP3A4CYP2D6GABRA1ADRA2C

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 claimed
EP-2276735-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP claimed
WO-2009127944-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO claimed

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 FAAH 1/4885CYP3A4 329/4885CYP2D6 382/4885

“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.