SCHEMBL799700

SCHEMBL799700

CCC(C)(C)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.58
DRD3 P35462 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9625482 0.90 CHRM2 (0.63) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL19228128 0.85 CHRM2 (0.55) CHRM2DRD3ALDH1A1
SCHEMBL16715916 0.85 CHRM2 (0.50) CHRM2DRD3ALDH1A1MEN1CYP1A2
SCHEMBL3727196 0.83 CHRM2 (0.56) CHRM2ALDH1A1
SCHEMBL22784140 0.83 CHRM2 (0.49) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL2599276 0.83 CHRM2 (0.56) CHRM2DRD3ALDH1A1MEN1CYP1A2
SCHEMBL5962347 0.82 CHRM2 (0.54) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL469610 0.81 CHRM2 (0.55) CHRM2ALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL14481161 0.80 CHRM2 (0.54) CHRM2ALDH1A1
SCHEMBL14480981 0.80 CHRM2 (0.54) CHRM2ALDH1A1

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
US-9346822-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-07 US disclosed
US-8735401-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-27 US disclosed
US-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 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 (3 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 CHRM2 4653/4885DRD3 3234/4885ALDH1A1 153/4885
US-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 CHRM2 2439/4885DRD3 957/4885ALDH1A1 1567/4885
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 CHRM2 2439/4885DRD3 957/4885ALDH1A1 1567/4885

“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.