SCHEMBL1970244

SCHEMBL1970244

Cc1cccc(CCN(C)C2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.49
GRIN2B Q13224 2/20 0.46
HRH3 Q9Y5N1 3/20 0.46
HTR2A P28223 1/20 0.46
CHI3L1 P36222 1/20 0.43
CHIT1 Q13231 1/20 0.43
CHI3L2 Q15782 1/20 0.43
CHIA Q9BZP6 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SLC18A3 Q16572 1/20 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
SCHEMBL27837194 0.82 TAAR1 (0.65) TAAR1GRIN2BHTR2ACHIT1CHIA
SCHEMBL25833470 0.82 TAAR1 (0.65) TAAR1GRIN2BHTR2ACHI3L1CHIT1
SCHEMBL1967143 0.80 GRIN2B (0.63) TAAR1GRIN2BHTR2ACHIASLC18A3
SCHEMBL1965728 0.80 AOC3 (0.63) TAAR1HRH3
SCHEMBL1967611 0.79 CHIA (0.54) TAAR1GRIN2BHRH3HTR2ACHI3L1
SCHEMBL3055268 0.78 TAAR1 (0.63) TAAR1HRH3
SCHEMBL1970890 0.78 CHIT1 (0.47) GRIN2BHRH3HTR2ACHI3L1CHIT1
SCHEMBL1967604 0.75 SIGMAR1 (0.60) GRIN2BHRH3HTR2ASLC6A2SLC6A4
SCHEMBL18774063 0.75 TAAR1 (0.55) TAAR1HRH3
SCHEMBL19444655 0.75 TAAR1 (0.59) TAAR1HRH3CHI3L1CHIT1CHI3L2

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 TAAR1 48/4885GRIN2B 223/4885HRH3 3/4885

“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.