SCHEMBL1920691

SCHEMBL1920691

N#Cc1ccc(N2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3F)C2)nn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 6/20 0.47
MC4R P32245 13/20 0.46
MC3R P41968 7/20 0.46
KCNH2 Q12809 2/20 0.43
MC5R P33032 1/20 0.43
MC1R Q01726 2/20 0.43
RIPK1 Q13546 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
SCHEMBL15039511 1.00 PANK3 (0.47) PANK3MC4RMC3RKCNH2MC5R
SCHEMBL12536952 0.88 PANK3 (0.45) PANK3MC4RMC3RRIPK1
SCHEMBL15039509 0.88 PANK3 (0.45) PANK3MC4RMC3RKCNH2MC5R
SCHEMBL12536904 0.88 PANK3 (0.45) PANK3MC4RMC3RKCNH2MC5R
SCHEMBL2310545 0.84 MC4R (0.48) PANK3MC4RMC3RKCNH2MC5R
SCHEMBL4917147 0.83 MC4R (0.47) PANK3MC4RMC3RKCNH2MC5R
SCHEMBL29327394 0.82 DPP4 (0.51) MC4RMC3RKCNH2MC5RMC1R
SCHEMBL4615034 0.82 DPP4 (0.51) MC4RMC3RKCNH2MC5RMC1R
SCHEMBL18480949 0.82 MC4R (0.55) MC4RMC3RKCNH2MC5RMC1R
SCHEMBL12537050 0.80 MC4R (0.67) MC4RMC3RKCNH2MC5RMC1R

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 8 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
EP-2326638-B9 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-11-13 EP disclosed
EP-2326638-B1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-06-19 EP 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
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

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 PANK3 3957/4885MC4R 1/4885MC3R 16/4885

“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.