SCHEMBL1972171

SCHEMBL1972171

COc1ccc2nc(CCN(C)C3CC3)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.51
CYP1A2 P05177 6/20 0.49
CYP2E1 P05181 6/20 0.49
CYP3A4 P08684 6/20 0.49
CYP2C8 P10632 6/20 0.49
CYP2D6 P10635 6/20 0.49
CYP2C9 P11712 6/20 0.49
CYP2B6 P20813 6/20 0.49
CYP2C19 P33261 6/20 0.49
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
LMNA P02545 1/20 0.48
F10 P00742 1/20 0.47
PDE10A Q9Y233 1/20 0.47
CACNA1G O43497 2/20 0.46
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1971261 0.84 KMT2A (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23742808 0.80 CACNA1G (0.52) BRS3CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL1971840 0.78 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2406469 0.78 F10 (0.47) BRS3CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL13263598 0.77 CYP1A2 (0.59) BRS3CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL1977861 0.76 RAD52 (0.61) BRS3CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL9194512 0.75 CYP1A2 (0.61) BRS3CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL1972170 0.75 CYP1A2 (0.54) BRS3CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL10272594 0.74 CYP1A2 (0.61) BRS3CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL10436145 0.74 CYP1A2 (0.62) BRS3CYP1A2CYP2E1CYP3A4CYP2C8

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 3 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
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 BRS3 33/4885CYP1A2 1070/4885CYP2E1 891/4885

“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.