SCHEMBL11294262

SCHEMBL11294262

NC(=O)CCNCc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
CHRM2 P08172 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FOLH1 Q04609 1/20 0.46
MCHR1 Q99705 1/20 0.46
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DPP7 Q9UHL4 4/20 0.45
DPP4 P27487 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
SCHEMBL11300822 0.91 CHRM2 (0.62) CYP2C9CYP2C19CHRM2ALDH1A1MEN1
SCHEMBL8338352 0.81 CYP2C9 (0.61) CYP2C9CYP2C19CHRM2ALDH1A1MEN1
SCHEMBL1073365 0.81 MEN1 (0.59) CHRM2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17590342 0.81 MEN1 (0.71) CYP2C9CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL3635719 0.79 ALDH1A1 (0.51) CYP2C9CYP2C19CHRM2ALDH1A1MEN1
SCHEMBL11094422 0.78 CHRM2 (0.75) CYP2C9CYP2C19CHRM2ALDH1A1MEN1
SCHEMBL9294968 0.77 CYP2C9 (0.56) CYP2C9CYP2C19CHRM2ALDH1A1MEN1
SCHEMBL625166 0.77 CYP2C19 (1.00) CYP2C9CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL6310819 0.77 LOXL2 (0.56) ALDH1A1CA12CA1CA2CA9
SCHEMBL31269854 0.77 ALDH1A1 (0.50) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
EP-2665704-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES Galapagos NV (BE) 2013-11-27 EP disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 WO disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 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 (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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC CYP2C9 2924/4885CYP2C19 1735/4885CHRM2 3437/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC CYP2C9 2924/4885CYP2C19 1735/4885CHRM2 3437/4885

“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.