SCHEMBL12536985

SCHEMBL12536985

N#Cc1ccc(N2C[C@@H](C(=O)N3CCCC(c4ccccc4)NCC3)[C@H](c3ccc(F)cc3F)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 17/20 0.47
MC3R P41968 8/20 0.47
KCNH2 Q12809 3/20 0.47
MC5R P33032 1/20 0.47
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
MC1R Q01726 3/20 0.41
TACR3 P29371 1/20 0.38
PRCP P42785 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
SCHEMBL13493139 0.90 MC4R (0.48) MC4RMC3RKCNH2MC5RMC1R
SCHEMBL1947427 0.84 MC4R (0.46) MC4RMC3RKCNH2MC5RDPP4
SCHEMBL12536997 0.82 TACR3 (0.45) MC4RMC3RMC1RTACR3PRCP
SCHEMBL12536991 0.82 MC4R (0.43) MC4RMC3RKCNH2MC5RMC1R
SCHEMBL12536993 0.81 TACR3 (0.43) MC4RMC3RKCNH2MC5RMC1R
SCHEMBL12536988 0.81 MC4R (0.42) MC4RMC3RKCNH2MC5RMC1R
SCHEMBL29327394 0.80 DPP4 (0.51) MC4RMC3RKCNH2MC5RDPP4
SCHEMBL4615034 0.80 DPP4 (0.51) MC4RMC3RKCNH2MC5RDPP4
SCHEMBL12536970 0.79 MC4R (0.62) MC4RMC3RKCNH2MC5RDPP4
SCHEMBL12537027 0.78 MC4R (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 16/4885KCNH2 469/4885

“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.