SCHEMBL2404071

SCHEMBL2404071

CN(CCc1ccccc1F)C1CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.62
AOC3 Q16853 1/20 0.59
HTR2A P28223 1/20 0.54
KDM4E B2RXH2 2/20 0.42
GRIN2B Q13224 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MBTPS1 Q14703 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
BCHE P06276 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL14451968 0.82 SLC6A2 (0.49) TAAR1AOC3KDM4ESLC6A2SLC6A3
SCHEMBL1968535 0.81 HTR2A (0.55) TAAR1HTR2AKDM4EGRIN2BSLC6A2
SCHEMBL27817763 0.79 TAAR1 (0.62) TAAR1AOC3HTR2AKDM4EGRIN2B
SCHEMBL2909631 0.77 TAAR1 (1.00) TAAR1AOC3HTR2AKDM4EALDH1A1
SCHEMBL1965745 0.77 AOC3 (0.61) TAAR1AOC3HTR2ACHRM2BCHE
SCHEMBL16367151 0.76 SLC6A2 (0.44) TAAR1AOC3KDM4ESLC6A2SLC6A3
SCHEMBL2405275 0.75 SLC6A4 (0.57) HTR2A
SCHEMBL2405790 0.75 HTR2A (0.71) HTR2AALDH1A1
SCHEMBL1967143 0.74 GRIN2B (0.63) TAAR1AOC3HTR2AKDM4EGRIN2B
SCHEMBL24776468 0.73 HTR2A (0.55) TAAR1AOC3HTR2AKDM4ESLC6A2

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 2 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

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 48/4885AOC3 550/4885HTR2A 46/4885

“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.