SCHEMBL1968987

SCHEMBL1968987

CCc1ccc(CCN(C)C2CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 8/20 0.54
CHIT1 Q13231 7/20 0.54
CHI3L1 P36222 1/20 0.50
CHI3L2 Q15782 1/20 0.50
GRIN2B Q13224 2/20 0.47
HTR2A P28223 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
SLC18A3 Q16572 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL1967611 0.85 CHIA (0.54) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL27817745 0.83 CHIT1 (0.63) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL27817743 0.83 HTR2A (0.49) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL1242233 0.83 TAAR1 (0.60) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL1969047 0.83 TAAR1 (0.60) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL1967143 0.82 GRIN2B (0.63) CHIAGRIN2BHTR2ATAAR1SLC18A3
SCHEMBL1966706 0.80 CHIT1 (0.44) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL12891009 0.80 CHIT1 (0.57) CHIACHIT1CHI3L1CHI3L2GRIN2B
SCHEMBL1966332 0.80 AOC3 (0.59) TAAR1HRH3SIGMAR1
SCHEMBL1966648 0.80 TAAR1 (0.47) CHIACHIT1CHI3L1CHI3L2GRIN2B

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 CHIA 1645/4885CHIT1 4004/4885CHI3L1 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.