SCHEMBL1966648

SCHEMBL1966648

CN(CCc1ccc(C(F)(F)F)cc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
CHIT1 Q13231 6/20 0.45
CHIA Q9BZP6 6/20 0.45
CHI3L1 P36222 1/20 0.44
CHI3L2 Q15782 1/20 0.44
GRIN2B Q13224 1/20 0.43
MAOB P27338 2/20 0.42
PYCR1 P32322 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
MIF P14174 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL17285934 0.88 HTR2A (0.52) CHIT1CHIAMAOBHTR2A
SCHEMBL17284596 0.87 CHIA (0.50) TAAR1CHIT1CHIAMAOBDRD2
SCHEMBL22878154 0.87 CHIA (0.47) TAAR1CHIT1CHIAGRIN2BMAOB
SCHEMBL12891009 0.86 CHIT1 (0.57) CHIT1CHIACHI3L1CHI3L2GRIN2B
SCHEMBL17282040 0.85 CHIA (0.49) TAAR1CHIT1CHIAMAOBHTR2A
SCHEMBL21500956 0.82 CHIA (0.47) CHIT1CHIAMAOBDRD2DRD3
SCHEMBL1969047 0.82 TAAR1 (0.60) TAAR1CHIT1CHIACHI3L1CHI3L2
SCHEMBL1971365 0.81 SLC6A4 (0.54) CHIT1CHIACHI3L1CHI3L2GRIN2B
SCHEMBL25531127 0.81 CHIT1 (0.53) CHIT1CHIACHI3L1CHI3L2GRIN2B
SCHEMBL1967611 0.80 CHIA (0.54) TAAR1CHIT1CHIACHI3L1CHI3L2

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 TAAR1 48/4885CHIT1 4004/4885CHIA 1645/4885

“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.