SCHEMBL1968986

SCHEMBL1968986

CCc1ccc(CCNCC2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
SAT1 P21673 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
SIGMAR1 Q99720 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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 0.85 NPC1 (0.46) ADRA1DADRA1AADRA1BTAAR1ALDH1A1
SCHEMBL1967205 0.83 ALDH1A1 (0.52) ADRA1DADRA1AADRA1BSIGMAR1ALDH1A1
SCHEMBL25343202 0.81 GFER (0.46) ADRA1DADRA1AADRA1BALDH1A1SMN1; SMN2
SCHEMBL1969046 0.81 TAAR1 (0.50) L3MBTL1TAAR1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2406756 0.81 KMT2A (0.51) L3MBTL1TAAR1ALDH1A1CYP1A2CYP2D6
SCHEMBL1967142 0.81 HTR2A (0.56) ADRA1DADRA1AADRA1BTAAR1SIGMAR1
SCHEMBL1966705 0.81 GAA (0.51) ADRA1DADRA1AADRA1BALDH1A1KMT2A
SCHEMBL1966331 0.81 ADRA1D (0.67) ADRA1DADRA1AADRA1BALDH1A1SMN1; SMN2
SCHEMBL5781480 0.79 ADRA1D (0.41) ADRA1DADRA1AADRA1BALDH1A1SMN1; SMN2
SCHEMBL5127860 0.78 ADRA1D (0.40) ADRA1DADRA1AADRA1BSAT1ALDH1A1

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 L3MBTL1 3230/4885ADRA1D 121/4885ADRA1A 77/4885

“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.