SCHEMBL13780656

SCHEMBL13780656

CNC(C)CCN(C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL13645921 0.82 ACACB (0.36) ALDH1A1CHRM1
SCHEMBL20014334 0.82 CHRM1 (0.32) CHRM1
SCHEMBL15830066 0.79 CHRM1 (0.31) CHRM1
SCHEMBL3827759 0.78 CHRM1 (0.35) ALDH1A1CHRM1
SCHEMBL1832130 0.78 CHRM1 (0.35) ALDH1A1CHRM1
SCHEMBL12384299 0.78 ALDH1A1 (0.38) ALDH1A1CHRM1CHRNB2CHRNA4
SCHEMBL13780927 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL1830717 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL24675303 0.76 CHRNB2 (0.31) ALDH1A1CHRNB2CHRNA4
SCHEMBL17383828 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758380-B1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
WO-2014100719-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
US-8759379-B2 Inhibitors of cytochrome P450 GILEAD SCIENCES, INC. (US) 2014-06-24 US disclosed
EP-2384328-B1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM INT (DE) 2013-02-13 EP disclosed
US-20090175820-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-09 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-20090175820-A1 INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP11B2, CYP2F1 ALDH1A1 168/4885CHRM1 3733/4885CHRNB2 2946/4885

“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.