SCHEMBL2265725

SCHEMBL2265725

CCc1cccc(CC2CNc3ccc(Cl)cc3C(c3ccc(O)cc3)=N2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.41
CCKBR P32239 2/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
KMT2A Q03164 1/20 0.40
FGFR1 P11362 1/20 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
SCHEMBL2268176 0.91 CHRM1 (0.40) CHRM1CCKBRMEN1LMNAALB
SCHEMBL2268380 0.90 CCKBR (0.41) CHRM1CCKBRMEN1LMNAALB
SCHEMBL3231240 0.87 CHRM1 (0.38) CHRM1CCKBRMEN1LMNAALB
SCHEMBL2264526 0.86 CHRM1 (0.44) CHRM1CCKBRMEN1LMNAALB
SCHEMBL2269267 0.85 MEN1 (0.39) CHRM1CCKBRMEN1LMNAALB
SCHEMBL2267540 0.83 CCKBR (0.41) CHRM1CCKBRMEN1LMNAALB
SCHEMBL2264477 0.82 CCKBR (0.57) CHRM1CCKBRMEN1LMNAALB
SCHEMBL2268675 0.81 MEN1 (0.43) CHRM1CCKBRMEN1LMNAALB
SCHEMBL2267642 0.81 LMNA (0.44) CHRM1CCKBRMEN1LMNAALB
SCHEMBL2962352 0.80 OPRK1 (0.40) CHRM1LMNAALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-15 US disclosed
US-8242109-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-08-14 US disclosed
US-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-11 US disclosed
US-7851465-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-12-14 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-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 CHRM1 2574/4885CCKBR 416/4885MEN1 4283/4885
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 CHRM1 2574/4885CCKBR 416/4885MEN1 4283/4885

“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.