SCHEMBL733467

SCHEMBL733467

CC1C(=O)N(CCCN2CCC3(CC3)C(O)C2)CCN1c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.37
NOTUM Q6P988 1/20 0.36
P2RX7 Q99572 2/20 0.35
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.32

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
SCHEMBL735558 1.00 AR (0.37) ARNOTUMP2RX7FPR3FPR2
SCHEMBL733466 1.00 AR (0.37) ARNOTUMP2RX7FPR3FPR2
SCHEMBL734699 0.93 GRM2 (0.32) P2RX7ADAMTS5
SCHEMBL733556 0.93 GRM2 (0.32) P2RX7ADAMTS5
SCHEMBL735793 0.93 GRM2 (0.32) P2RX7ADAMTS5
SCHEMBL733555 0.93 GRM2 (0.32) P2RX7ADAMTS5
SCHEMBL736702 0.91 ADAMTS5 (0.41) NOTUMP2RX7ADAMTS5
SCHEMBL735228 0.91 ADAMTS5 (0.41) NOTUMP2RX7ADAMTS5
SCHEMBL734858 0.91 ADAMTS5 (0.41) NOTUMP2RX7ADAMTS5
SCHEMBL734859 0.91 ADAMTS5 (0.41) NOTUMP2RX7ADAMTS5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 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-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 AR 811/4885NOTUM 4344/4885P2RX7 54/4885

“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.