SCHEMBL1966706

SCHEMBL1966706

CSc1ccc(CCN(C)C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 6/20 0.44
CHIA Q9BZP6 6/20 0.44
CHI3L1 P36222 1/20 0.44
CHI3L2 Q15782 1/20 0.44
GRIN2B Q13224 2/20 0.43
SLC6A4 P31645 6/20 0.42
HTR2A P28223 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SLC18A3 Q16572 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
SCHEMBL7464765 0.89 GRIN2B (0.39) CHIT1CHIACHI3L1CHI3L2GRIN2B
SCHEMBL1967611 0.80 CHIA (0.54) CHIT1CHIACHI3L1CHI3L2GRIN2B
SCHEMBL1968987 0.80 CHIA (0.54) CHIT1CHIACHI3L1CHI3L2GRIN2B
SCHEMBL1242233 0.79 TAAR1 (0.60) CHIT1CHIACHI3L1CHI3L2GRIN2B
SCHEMBL1969047 0.79 TAAR1 (0.60) CHIT1CHIACHI3L1CHI3L2GRIN2B
SCHEMBL27817743 0.79 HTR2A (0.49) CHIT1CHIACHI3L1CHI3L2GRIN2B
SCHEMBL27817745 0.79 CHIT1 (0.63) CHIT1CHIACHI3L1CHI3L2GRIN2B
SCHEMBL1967143 0.78 GRIN2B (0.63) CHIAGRIN2BHTR2ASLC18A3
SCHEMBL7473318 0.78 MCHR1 (0.47) HRH3
SCHEMBL1966648 0.76 TAAR1 (0.47) CHIT1CHIACHI3L1CHI3L2GRIN2B

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
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN 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 CHIT1 4004/4885CHIA 1645/4885CHI3L1 2780/4885

“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.