SCHEMBL939206

SCHEMBL939206

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCC2c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
SLC6A9 P48067 13/20 0.42
NAMPT P43490 5/20 0.41
OPRM1 P35372 5/20 0.41
SLC6A5 Q9Y345 3/20 0.41
OPRL1 P41146 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL4334410 0.90 SLC6A9 (0.53) SLC6A9OPRM1SLC6A5OPRL1KCNH2
SCHEMBL5563352 0.89 SLC6A9 (0.54) GPR119SLC6A9
SCHEMBL5563268 0.89 SLC6A9 (0.52) GPR119SLC6A9OPRM1SLC6A5
SCHEMBL5557626 0.88 SLC6A9 (0.53) GPR119SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL1138300 0.88 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL14058697 0.86 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5OPRL1KCNH2
SCHEMBL4331180 0.86 SLC6A9 (0.41) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL14057437 0.83 SLC6A9 (0.48) SLC6A9OPRM1SLC6A5OPRL1KCNH2
SCHEMBL15437748 0.78 DDB1 (0.44) GPR119
SCHEMBL14126822 0.78 SLC6A9 (0.49) SLC6A9OPRM1SLC6A5OPRL1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
EP-2440542-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2012-04-18 EP disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 WO disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 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 (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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 GPR119 466/4885SLC6A9 3380/4885NAMPT 1631/4885

“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.