SCHEMBL1919958

SCHEMBL1919958

CC1[C@@H](C(=O)O)[C@H](c2ccc(F)cc2F)CN1c1ccc(=O)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 17/20 0.40
NTRK1 P04629 1/20 0.38
MC5R P33032 5/20 0.38
MC3R P41968 4/20 0.36
KCNH2 Q12809 3/20 0.36
SLC6A9 P48067 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MC1R Q01726 2/20 0.35

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
SCHEMBL1945992 0.88 KDM4E (0.43) MC4R
SCHEMBL1946770 0.81 DPP4 (0.47) MC4RMC5RMC3RKCNH2DPP4
SCHEMBL3262709 0.80 MC4R (0.52) MC4RMC5RMC3RKCNH2SLC6A9
SCHEMBL13493164 0.80 MC4R (0.52) MC4RMC5RMC3RKCNH2SLC6A9
SCHEMBL2307986 0.80 PANK3 (0.42) MC4RMC5RMC3RKCNH2
SCHEMBL2307114 0.78 BRD4 (0.42)
SCHEMBL1920759 0.77 MC4R (0.45) MC4RMC5RMC3RKCNH2MC1R
SCHEMBL1945899 0.74 PDE10A (0.34) NTRK1
SCHEMBL1919957 0.73 MC4R (0.49) MC4RMC5RMC3RKCNH2MC1R
SCHEMBL1920256 0.72 MC4R (0.48) MC4RMC5RMC3RKCNH2MC1R

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
EP-2326638-A1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS Pfizer Limited (GB) 2011-06-01 EP 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 1/4885NTRK1 766/4885MC5R 13/4885

“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.