SCHEMBL1948146

SCHEMBL1948146

COC(=O)[C@@H]1CN(c2cccnn2)C[C@H]1c1ccc(OC)cc1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 7/20 0.52
MC3R P41968 5/20 0.52
MC1R Q01726 2/20 0.51
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
GLS O94925 12/20 0.41
MC5R P33032 1/20 0.40
KCNH2 Q12809 1/20 0.40

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 0.91 MC4R (0.55) MC4RMC3RMC1RDPP4DPP8
SCHEMBL15016246 0.91 MC4R (0.55) MC4RMC3RMC1RDPP4DPP8
SCHEMBL1921096 0.91 MC4R (0.55) MC4RMC3RMC1RDPP4DPP8
SCHEMBL12536913 0.84 KMT2A (0.47) MC4RMC3RDPP4MC5R
SCHEMBL12536903 0.83 PANK3 (0.44) MC4RMC3RDPP4
SCHEMBL12536917 0.80 FPR1 (0.40) MC4RMC3RDPP4MC5R
SCHEMBL1945989 0.80 MC4R (0.43) MC4RDPP4
SCHEMBL13493103 0.77 MC4R (0.67) MC4RMC3RMC1RDPP4DPP8
SCHEMBL12537050 0.77 MC4R (0.67) MC4RMC3RMC1RDPP4DPP8
SCHEMBL29327373 0.77 MC4R (0.67) MC4RMC3RMC1RDPP4DPP8

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
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
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.