SCHEMBL1961916

SCHEMBL1961916

CCCCOc1cccc(/C=C2\CCN(C(=O)Nc3ccc(C)nc3)CC2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
DGAT1 O75907 1/20 0.42
NAMPT P43490 1/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FAAH O00519 6/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA1 P14867 1/20 0.36
ADRA2C P18825 1/20 0.36
CNR1 P21554 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 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
SCHEMBL1961917 1.00 CYP3A4 (0.51) CYP3A4CYP2D6DGAT1NAMPTMAPT
SCHEMBL1038543 0.92 CYP3A4 (0.51) CYP3A4CYP2D6MAPTFAAHTHRB
SCHEMBL1038541 0.92 CYP3A4 (0.51) CYP3A4CYP2D6MAPTFAAHTHRB
SCHEMBL1076089 0.91 CYP3A4 (0.50) CYP3A4CYP2D6NAMPTMAPTFAAH
SCHEMBL1076091 0.91 CYP3A4 (0.50) CYP3A4CYP2D6NAMPTMAPTFAAH
SCHEMBL1076482 0.91 CYP2D6 (0.54) CYP3A4CYP2D6DGAT1NAMPTHTT
SCHEMBL1076479 0.91 CYP2D6 (0.54) CYP3A4CYP2D6DGAT1NAMPTHTT
SCHEMBL1035752 0.91 CYP3A4 (0.51) CYP3A4CYP2D6DGAT1NAMPTFAAH
SCHEMBL1035753 0.91 CYP3A4 (0.51) CYP3A4CYP2D6DGAT1NAMPTFAAH
SCHEMBL1075689 0.91 CYP3A4 (0.46) CYP3A4CYP2D6DGAT1NAMPTMAPT

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 1 patent. 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

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.