SCHEMBL1613883

SCHEMBL1613883

COCCN(C)C1CCc2cc3ccc(Br)cc3n21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
CRHR1 P34998 1/20 0.32
BCHE P06276 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
SCHEMBL1613882 0.66 BCHE (0.34) CYP2D6HRH1KCNH2CRHR1BCHE
SCHEMBL13575036 0.66 BCHE (0.34) CYP2D6HRH1KCNH2CRHR1BCHE
SCHEMBL14746138 0.64 USP30 (0.31)
SCHEMBL5865730 0.61 CRHR1 (0.39) CRHR1
SCHEMBL28512003 0.60 CYP3A4 (0.33) CRHR1
SCHEMBL1613084 0.59 MEN1 (0.35) BCHE
SCHEMBL4039429 0.58 ADRA2A (0.35)
SCHEMBL1047886 0.57 MAPT (0.41) CYP2D6
SCHEMBL4041138 0.57 HTR2A (0.36)
SCHEMBL18239404 0.57 HTR7 (0.53)

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
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 CYP2D6 3010/4885HRH1 926/4885KCNH2 3470/4885

“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.