SCHEMBL2689406

SCHEMBL2689406

Cc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 13/20 0.32
RIPK1 Q13546 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PABPC1 P11940 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4962091 0.91 CDK4 (0.33) RIPK1ALDH1A1HPGDHTT
SCHEMBL4966412 0.91 RIPK1 (0.40) SLC8A1RIPK1
SCHEMBL4965201 0.90 CDK4 (0.33) SLC8A1RIPK1
SCHEMBL4663156 0.89 RIPK1 (0.36) SLC8A1RIPK1KDM4E
SCHEMBL4662902 0.89 RIPK1 (0.36) SLC8A1RIPK1KDM4E
SCHEMBL4664616 0.89 RIPK1 (0.36) SLC8A1RIPK1KDM4E
SCHEMBL4756646 0.89 SLC8A1 (0.33) SLC8A1
SCHEMBL4962584 0.89 CMA1 (0.36)
SCHEMBL5138692 0.88 SLC8A1 (0.33) SLC8A1
SCHEMBL4962507 0.88 SLC8A1 (0.36) SLC8A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190070159-A1 NOVEL PHARMACEUTICAL USES TAKEDA PHARMACEUTICALS CO (JP) 2019-03-07 US claimed
US-20180085361-A1 NOVEL PHARMACEUTICAL USES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-29 US claimed
US-8648080-B2 Acid pump antagonist for the treatment of diseases involved in abnormal gastrointestinal motility RAQUALIA PHARMA INC. (JP) 2014-02-11 US claimed
US-20120115820-A1 ACID PUMP ANTAGONIST FOR THE TREATMENT OF DISEASES INVOLVED IN ABNORMAL GASTROINTESTINAL MOTILITY RAQUALIA PHARMA INC. 2012-05-10 US claimed
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US claimed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP claimed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO claimed
US-20190070159-A1 NOVEL PHARMACEUTICAL USES TAKEDA PHARMACEUTICALS CO (JP) 2019-03-07 US disclosed
US-20180085361-A1 NOVEL PHARMACEUTICAL USES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-29 US disclosed
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
WO-2008095912-A2 ENANTIOPURE PHARMACOLOGICALLY ACTIVE TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2008-08-14 WO disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO 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 (4 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-20190070159-A1 NOVEL PHARMACEUTICAL USES ATP1A4, HRH2, ATP4A SLC8A1 102/4885RIPK1 4125/4885KDM4E 796/4885
US-20120115820-A1 ACID PUMP ANTAGONIST FOR THE TREATMENT OF DISEASES INVOLVED IN ABNORMAL GASTROINTESTINAL MOTILITY HRH2, SLC10A2, MLNR SLC8A1 443/4885RIPK1 3871/4885KDM4E 4079/4885
US-20180085361-A1 NOVEL PHARMACEUTICAL USES ATP1A4, HRH2, ATP4A SLC8A1 102/4885RIPK1 4125/4885KDM4E 796/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 SLC8A1 4475/4885RIPK1 4483/4885KDM4E 2195/4885

“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.