SCHEMBL1966705

SCHEMBL1966705

CSc1ccc(CCNCC2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
SLC6A4 P31645 4/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39

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
SCHEMBL1967608 0.81 NPC1 (0.46) GAACA12CA1CA2CA9
SCHEMBL1968986 0.81 L3MBTL1 (0.50) ADRA1DADRA1AADRA1BALDH1A1MEN1
SCHEMBL1967205 0.79 ALDH1A1 (0.52) CA1CA2ADRA1DADRA1AADRA1B
SCHEMBL1969046 0.77 TAAR1 (0.50) CA12CA1CA2CA4SLC6A4
SCHEMBL2406756 0.77 KMT2A (0.51) CA12CA1CA2CA4CA9
SCHEMBL25343202 0.77 GFER (0.46) CA12CA1CA2CA9ADRA1D
SCHEMBL1967142 0.77 HTR2A (0.56) GAAADRA1DADRA1AADRA1BMEN1
SCHEMBL1966331 0.77 ADRA1D (0.67) GAAADRA1DADRA1AADRA1BKDM4E
SCHEMBL21241535 0.75 HDAC6 (0.56) GAASLC6A4NPC1ALDH1A1MEN1
SCHEMBL5781480 0.75 ADRA1D (0.41) ADRA1DADRA1AADRA1BKDM4ENPC1

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 GAA 2389/4885CA12 3489/4885CA1 2155/4885

“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.