SCHEMBL13740795

SCHEMBL13740795

COc1cccc([C@H](C)NC(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.58
POLB P06746 1/20 0.55
AOC3 Q16853 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ROCK2 O75116 3/20 0.47
ROCK1 Q13464 3/20 0.47
PRKG1 Q13976 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 1/20 0.47
HRH2 P25021 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL14438388 1.00 CASR (0.58) CASRPOLBAOC3MEN1KMT2A
SCHEMBL12870263 1.00 CASR (0.58) CASRPOLBAOC3MEN1KMT2A
SCHEMBL2890806 0.87 CASR (0.65) CASRPOLBAOC3SMN1; SMN2HTR1A
SCHEMBL6221310 0.86 CASR (0.63) CASRPOLBAOC3MEN1KMT2A
SCHEMBL6224227 0.86 CASR (0.63) CASRPOLBAOC3MEN1KMT2A
SCHEMBL6224219 0.86 CASR (0.63) CASRPOLBAOC3MEN1KMT2A
SCHEMBL6224228 0.86 CASR (0.63) CASRPOLBAOC3MEN1KMT2A
SCHEMBL16179819 0.85 CASR (0.50) CASRPOLBAOC3CYP3A4
SCHEMBL19286306 0.83 CASR (0.59) CASRPOLBAOC3MEN1KMT2A
SCHEMBL413322 0.83 CASR (0.59) CASRPOLBAOC3MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 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 (2 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 CASR 3686/4885POLB 1938/4885AOC3 2891/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 CASR 381/4885POLB 4086/4885AOC3 2680/4885

“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.