SCHEMBL1968535

SCHEMBL1968535

Cc1ccccc1CCN(C)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
TAAR1 Q96RJ0 4/20 0.46
KDM4E B2RXH2 1/20 0.43
GRIN2B Q13224 3/20 0.41
ACHE P22303 1/20 0.40
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
MBTPS1 Q14703 1/20 0.38
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHI3L1 P36222 1/20 0.36
CHIT1 Q13231 1/20 0.36
CHI3L2 Q15782 1/20 0.36
CHIA Q9BZP6 1/20 0.36
SLC18A3 Q16572 1/20 0.36

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
SCHEMBL27817763 0.81 TAAR1 (0.62) HTR2ATAAR1KDM4EGRIN2BSLC6A4
SCHEMBL2404071 0.81 TAAR1 (0.62) HTR2ATAAR1KDM4EGRIN2BSLC6A2
SCHEMBL1970014 0.81 HTR2A (0.47) HTR2ATAAR1KDM4EGRIN2BSLC6A4
SCHEMBL2405047 0.79 TAAR1 (0.49) HTR2ATAAR1KDM4EGRIN2BSLC6A4
SCHEMBL4711078 0.79 L3MBTL1 (0.42) HTR2ATAAR1KDM4EMBTPS1
SCHEMBL1965745 0.78 AOC3 (0.61) HTR2ATAAR1KCNH2
SCHEMBL3064865 0.77 TAAR1 (0.61) HTR2ATAAR1
SCHEMBL1967143 0.76 GRIN2B (0.63) HTR2ATAAR1KDM4EGRIN2BCHIA
Hydrochloric Acid SCHEMBL28135517 0.75 TAAR1 (0.59) HTR2ATAAR1
SCHEMBL24776468 0.75 HTR2A (0.55) HTR2ATAAR1KDM4ESLC6A4SLC6A2

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 HTR2A 46/4885TAAR1 48/4885KDM4E 452/4885

“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.