SCHEMBL6519237

SCHEMBL6519237

CCCCOc1cccc(C=C2CCN(c3onc(C)c3C)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP19A1 P11511 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
GPR18 Q14330 5/20 0.36
OGA O60502 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 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
SCHEMBL6517979 0.89 CYP2D6 (0.35) GPR18OGAGPR55
SCHEMBL6522943 0.88 OGA (0.35) GPR18OGAGPR55NPSR1MEN1
SCHEMBL6520847 0.87 OGA (0.35) GPR18OGAGPR55MEN1NPC1
SCHEMBL6522747 0.87 OGA (0.35) TLR4TLR2GPR18OGAGPR55
SCHEMBL6519327 0.86 GPR55 (0.37) TLR4TLR2GPR18OGAGPR55
SCHEMBL6518965 0.85 GPR18 (0.34) GPR18OGAGPR55
SCHEMBL6525594 0.84 F10 (0.37) GPR18OGAGPR55POLB
SCHEMBL6517028 0.83 OGA (0.35) OGA
SCHEMBL6522748 0.83 TLR4 (0.41) TLR4TLR2OGA
SCHEMBL6516955 0.81 CYP3A4 (0.33) OGA

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-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 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-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 TLR4 2819/4885TLR2 2211/4885CYP1A2 136/4885

“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.