SCHEMBL1921096

SCHEMBL1921096

COc1ccc([C@@H]2CN(c3cccnn3)C[C@H]2C(=O)O)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 11/20 0.55
MC3R P41968 7/20 0.55
MC1R Q01726 2/20 0.51
DPP4 P27487 2/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
KCNH2 Q12809 2/20 0.42
MC5R P33032 1/20 0.42
GLS O94925 6/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL15016245 1.00 MC4R (0.55) MC4RMC3RMC1RDPP4DPP8
SCHEMBL15016246 1.00 MC4R (0.55) MC4RMC3RMC1RDPP4DPP8
SCHEMBL1948146 0.91 MC4R (0.52) MC4RMC3RMC1RDPP4DPP8
SCHEMBL29327373 0.86 MC4R (0.67) MC4RMC3RMC1RDPP4DPP8
SCHEMBL12537050 0.86 MC4R (0.67) MC4RMC3RMC1RDPP4DPP8
SCHEMBL13493103 0.86 MC4R (0.67) MC4RMC3RMC1RDPP4DPP8
Hydrochloric Acid SCHEMBL4922931 0.85 MC4R (0.66) MC4RMC3RMC1RDPP4DPP8
SCHEMBL12536952 0.82 PANK3 (0.45) MC4RMC3RDPP4
SCHEMBL1948149 0.81 MC4R (0.42) MC4RMC3RMC1RDPP4DPP8
SCHEMBL1919904 0.79 MC4R (0.45) MC4RMC3RDPP4KCNH2MC5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592403-B2 Diazepine and diazocane compounds as MC4 agonists PFIZER LIMITED (GB) 2013-11-26 US disclosed
US-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists ANDREWS MARK DAVID 2011-06-09 US disclosed
US-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists ANDREWS MARK DAVID 2011-06-09 US disclosed
EP-2326638-A1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS Pfizer Limited (GB) 2011-06-01 EP disclosed
WO-2010015972-A1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LIMITED (GB) 2010-02-11 WO disclosed
WO-2010015972-A1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LIMITED (GB) 2010-02-11 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-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists MC4R, CHRM4, GPR4 MC4R 1/4885MC3R 16/4885MC1R 26/4885

“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.