SCHEMBL1968379

SCHEMBL1968379

Brc1cccc(CCNCC2CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CNR1 P21554 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42

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
SCHEMBL3647968 0.83 TAAR1 (0.51) TAAR1CYP1A2CYP2D6CYP2C19CNR1
SCHEMBL1970243 0.81 CXCR4 (0.52) TAAR1CNR1NPC1
SCHEMBL3642599 0.80 TAAR1 (0.48) TAAR1CYP1A2CYP2D6CYP2C19GPR84
SCHEMBL1967142 0.79 HTR2A (0.56) TAAR1MEN1KMT2A
SCHEMBL16502031 0.78 TAAR1 (0.55) TAAR1
SCHEMBL1965727 0.77 CHRM2 (0.60) TAAR1MEN1KMT2ANPC1
SCHEMBL553063 0.76 TAAR1 (0.68) TAAR1CYP1A2CYP2D6CYP2C19CNR1
SCHEMBL552961 0.75 TAAR1 (0.66) TAAR1CYP1A2CYP2D6CYP2C19CNR1
SCHEMBL19524534 0.75 GAA (0.63) TAAR1CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL1967603 0.74 NPY5R (0.56) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 TAAR1 48/4885CYP1A2 1070/4885CYP2D6 1512/4885

“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.