SCHEMBL1944738

SCHEMBL1944738

Cn1nc(N2C[C@@H](C(=O)[N+]3(c4ccc(Cl)cc4)CCCCNCC3)[C@H](c3ccc(F)cc3F)C2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MC4R P32245 13/20 0.42
PRCP P42785 6/20 0.34
MC3R P41968 6/20 0.34
MC5R P33032 2/20 0.34
KCNH2 Q12809 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
MC1R Q01726 1/20 0.33

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
SCHEMBL1919677 0.86 MC4R (0.42) MC4RPRCPMC3RMC5RKCNH2
SCHEMBL15016209 0.81 MC4R (0.44) MC4RPRCPMC3RMC5RKCNH2
SCHEMBL1944733 0.79 MC4R (0.47) MC4RPRCPMC3RMC5RKCNH2
SCHEMBL1919400 0.77 MC4R (0.36) MC4RMC3RMC5RFPR1FPR2
SCHEMBL3262709 0.76 MC4R (0.52) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL13493164 0.76 MC4R (0.52) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL1944734 0.75 MC4R (0.44) MC4RPRCPMC3RMC5RKCNH2
SCHEMBL12536967 0.75 MC4R (0.44) MC4RPRCPMC3RMC5RKCNH2
SCHEMBL1919957 0.74 MC4R (0.49) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL15016212 0.73 MC4R (0.40) MC4RPRCPMC3RMC5RKCNH2

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 4 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

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 1/4885PRCP 2814/4885MC3R 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.