SCHEMBL12536331

SCHEMBL12536331

Cn1nc(N2C[C@@H](C(=O)N3CCC[C@@H](c4ccc(Cl)cc4)N(C(=O)C4CC4)CC3)[C@H](c3ccc(F)cc3F)C2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 5/20 0.45
PRCP P42785 12/20 0.42
SLC6A9 P48067 2/20 0.41
MC3R P41968 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL12536334 0.94 MC4R (0.45) MC4RPRCPMC3R
SCHEMBL12536329 0.94 MC4R (0.45) MC4RPRCPMC3R
SCHEMBL15016243 0.94 MC4R (0.47) MC4RPRCPMC3R
SCHEMBL12536314 0.92 MC4R (0.39) MC4RPRCPSLC6A9MC3R
SCHEMBL13493146 0.92 MC4R (0.44) MC4RPRCPMC3RNTRK1
SCHEMBL12536508 0.92 MC4R (0.44) MC4RPRCPMC3RNTRK1
SCHEMBL12536408 0.92 MC4R (0.44) MC4RPRCPMC3RNTRK1
SCHEMBL1919675 0.92 MC4R (0.45) MC4RPRCPMC3RNTRK1
SCHEMBL1919620 0.92 MC4R (0.44) MC4RPRCPMC3RNTRK1
SCHEMBL12536533 0.90 PRCP (0.43) MC4RPRCPMC3RNTRK1

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 1 patent. 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

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 2814/4885SLC6A9 2638/4885

“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.