SCHEMBL6525258

SCHEMBL6525258

Cc1noc(N2CCC(=Cc3cccc(OCC4CCC(F)(F)CC4)c3)CC2)c1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.34
TLR2 O60603 2/20 0.34
P2RX7 Q99572 2/20 0.34
OGA O60502 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
ACHE P22303 4/20 0.32
LRRK2 Q5S007 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL6522748 0.90 TLR4 (0.41) TLR4TLR2OGAACHE
SCHEMBL1076898 0.88 P2RX7 (0.32) TLR4TLR2P2RX7KDM5AKDM4C
SCHEMBL1076897 0.88 P2RX7 (0.32) TLR4TLR2P2RX7KDM5AKDM4C
SCHEMBL6522790 0.87 PDE2A (0.33) OGAFAAH
SCHEMBL6522747 0.83 OGA (0.35) TLR4TLR2OGAFAAH
SCHEMBL1037033 0.82 CYP3A4 (0.42) OGAKDM5AKDM4CKDM5BFAAH
SCHEMBL6522943 0.80 OGA (0.35) OGA
SCHEMBL6519237 0.80 TLR4 (0.39) TLR4TLR2OGA
SCHEMBL6519327 0.80 GPR55 (0.37) TLR4TLR2OGA
SCHEMBL6520847 0.79 OGA (0.35) OGAACHE

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 2211/4885P2RX7 177/4885

“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.