SCHEMBL1967608

SCHEMBL1967608

Cc1ccc(CCNCC2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
MAPT P10636 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HPGD P15428 3/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL23101969 0.88 CHRM2 (0.45) NPC1RAB9AADRA1DADRA1AADRA1B
SCHEMBL1968986 0.85 L3MBTL1 (0.50) ADRA1DADRA1AADRA1BMAPTALDH1A1
SCHEMBL1967205 0.83 ALDH1A1 (0.52) ADRA1DADRA1AADRA1BMAPTCA1
SCHEMBL1969046 0.81 TAAR1 (0.50) RAB9ACA12CA1CA2ALDH1A1
SCHEMBL25343202 0.81 GFER (0.46) ADRA1DADRA1AADRA1BMAPTCA12
SCHEMBL2406756 0.81 KMT2A (0.51) NPC1RAB9ACA12CA1CA2
SCHEMBL1967142 0.81 HTR2A (0.56) ADRA1DADRA1AADRA1BMAPTMEN1
SCHEMBL22917361 0.81 CXCR4 (0.56) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL1966705 0.81 GAA (0.51) NPC1ADRA1DADRA1AADRA1BCA12
SCHEMBL1966331 0.81 ADRA1D (0.67) ADRA1DADRA1AADRA1BALDH1A1SMN1; SMN2

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-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 NPC1 1540/4885RAB9A 2150/4885ADRA1D 121/4885

“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.