SCHEMBL2406469

SCHEMBL2406469

COc1ccc2nc(CC(=O)N(C)C3CC3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2E1 P05181 3/20 0.46
CYP2C8 P10632 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2B6 P20813 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
HSD17B10 Q99714 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
CACNA1G O43497 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2407792 0.85 KMT2A (0.51) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL2404067 0.80 MEN1 (0.48) F10CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11192250 0.79 EGLN1 (0.60) F10CYP1A2CYP2E1CYP2C8CYP2D6
SCHEMBL1972171 0.78 BRS3 (0.51) F10CYP1A2CYP2E1CYP2C8CYP2D6
SCHEMBL2405107 0.74 MAPT (0.54) ALDH1A1HPGDKDM4EMAPTMAPK1
SCHEMBL12635909 0.73 F10 (0.61) F10CYP1A2CYP2E1CYP2C8CYP2D6
SCHEMBL31284816 0.73 F10 (0.61) F10CYP1A2CYP2E1CYP2C8CYP2D6
SCHEMBL2405257 0.72 CCR5 (0.62) ALDH1A1HPGD
SCHEMBL2405089 0.72 MEN1 (0.59) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10272594 0.72 CYP1A2 (0.61) F10CYP1A2CYP2E1CYP2C8CYP2D6

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 1 patent. 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

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 F10 3455/4885CYP1A2 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.