SCHEMBL10195095

SCHEMBL10195095

CC(CC(C)(C#N)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
TAAR1 Q96RJ0 3/20 0.41
CYP2C19 P33261 1/20 0.40
AOC3 Q16853 2/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
NISCH Q9Y2I1 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPA1 O75762 3/20 0.37

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
SCHEMBL10195090 0.81 RIPK1 (0.46) RIPK1CYP2D6CYP3A4CYP2C19AOC3
SCHEMBL10229449 0.81 CYP2D6 (0.37) RIPK1CYP2D6CYP3A4TAAR1CYP2C19
SCHEMBL235642 0.80 RIPK1 (0.48) RIPK1CYP2D6CYP3A4TAAR1CYP2C19
SCHEMBL13435156 0.76 CYP2D6 (0.38) CYP2D6CYP3A4TAAR1CYP2C19ALDH1A1
SCHEMBL1019329 0.76 RIPK1 (0.52) RIPK1TAAR1AOC3ALDH1A1ALOX15
SCHEMBL24302110 0.74 CYP2D6 (0.43) CYP2D6CYP3A4TAAR1CYP2C19MEN1
SCHEMBL1492823 0.74 CYP2D6 (0.43) CYP2D6CYP3A4TAAR1CYP2C19MEN1
SCHEMBL28133086 0.74 RIPK1 (0.53) RIPK1TAAR1AOC3KDM4EALDH1A1
SCHEMBL14177560 0.73 CYP3A4 (0.49) RIPK1CYP2D6CYP3A4CYP2C19MEN1
SCHEMBL5664123 0.73 RIPK1 (0.63) RIPK1TAAR1AOC3TRPA1CACNA1F

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-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 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-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP RIPK1 3236/4885CYP2D6 310/4885CYP3A4 225/4885

“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.