SCHEMBL3244455

SCHEMBL3244455

O=C(c1ccccc1)N(CCc1cccc(C(F)(F)F)n1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.43
HCRTR2 O43614 15/20 0.43
P2RX7 Q99572 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37

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
SCHEMBL3237382 0.73 PDPK1 (0.52) MEN1KMT2A
SCHEMBL3232453 0.73 TRPM8 (0.53) MEN1KMT2A
SCHEMBL19837388 0.70 P2RX7 (0.47) HCRTR1HCRTR2P2RX7TAS2R14
SCHEMBL28914699 0.70 KCNH2 (0.66) P2RX7TAS2R14
SCHEMBL868879 0.70 P2RX7 (0.50) P2RX7TAS2R14
SCHEMBL29755971 0.70 P2RX7 (0.50) P2RX7TAS2R14
SCHEMBL23343864 0.69 P2RX7 (0.45) HCRTR1HCRTR2P2RX7TAS2R14
SCHEMBL4664168 0.69 P2RX7 (0.50) HCRTR1HCRTR2P2RX7TAS2R14
SCHEMBL8648745 0.68 P2RX7 (0.41) HCRTR1HCRTR2P2RX7TAS2R14
SCHEMBL26046016 0.68 P2RX7 (0.49) HCRTR1HCRTR2P2RX7TAS2R14

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-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 HCRTR1 1602/4885HCRTR2 2272/4885P2RX7 978/4885

“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.