SCHEMBL1972170

SCHEMBL1972170

COc1ccc2nc(CCNCC3CC3)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CYP2E1 P05181 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C8 P10632 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2B6 P20813 3/20 0.54
CYP2C19 P33261 3/20 0.54
F9 P00740 1/20 0.52
BRS3 P32247 2/20 0.50
ALDH1A1 P00352 2/20 0.50
F10 P00742 1/20 0.49
KLK1 P06870 1/20 0.47
KLK5 Q9Y337 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL1971259 0.84 KMT2A (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2410301 0.81 TDP1 (0.56) CYP1A2CYP2D6CYP2C9CYP2C19F9
SCHEMBL23270276 0.81 GRIN1 (0.57) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL1971839 0.79 KMT2A (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1970666 0.78 LMNA (0.61) KDM4ERAB9ASMN1; SMN2
SCHEMBL13263598 0.76 CYP1A2 (0.59) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL2850286 0.76 GRIN1 (0.55) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL1977861 0.75 RAD52 (0.61) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL12635909 0.75 F10 (0.61) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL31284816 0.75 F10 (0.61) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6

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 CYP1A2 1070/4885CYP2E1 891/4885CYP3A4 1054/4885

“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.