SCHEMBL4172343

SCHEMBL4172343

CC1(C)[CH]CCC(N2CCCC(F)C2)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
OPRM1 P35372 2/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL4186626 0.82 IRAK4 (0.30) IRAK4
SCHEMBL4186606 0.81 L3MBTL3 (0.34) OPRM1OPRK1
SCHEMBL4178174 0.80 OPRL1 (0.35) OPRM1OPRK1
SCHEMBL4172642 0.73
SCHEMBL4173229 0.71 EBP (0.32)
SCHEMBL26514335 0.71 HRH3 (0.44) IRAK4HRH3
SCHEMBL4181149 0.70 OPRL1 (0.38) IRAK4HRH3
SCHEMBL29335368 0.69 ALDH1A1 (0.40) IRAK4HRH3
SCHEMBL17660856 0.68 HRH3 (0.45) IRAK4HRH3
SCHEMBL21938963 0.67 HRH3 (0.36) IRAK4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US disclosed
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO 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-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 IRAK4 857/4885HRH3 14/4885OPRM1 388/4885

“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.