SCHEMBL1920198

SCHEMBL1920198

COc1ccc([C@@H]2CN(C)C[C@H]2C(=O)O)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
MC4R P32245 3/20 0.45
MC5R P33032 2/20 0.45
CPS1 P31327 7/20 0.45
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FPR1 P21462 2/20 0.41
FPR2 P25090 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL12536947 0.84 MC4R (0.56) MC4RMC5R
SCHEMBL15382425 0.84 MC4R (0.56) MC4RMC5R
SCHEMBL1920425 0.84 MC4R (0.60) KMT2AMC4RMC5RMEN1
SCHEMBL1920280 0.84 MC4R (0.60) KMT2AMC4RMC5RMEN1
SCHEMBL2133690 0.82 FFAR1 (0.47) KMT2ACPS1FPR1FPR2
SCHEMBL14480439 0.82 FFAR1 (0.47) KMT2ACPS1FPR1FPR2
SCHEMBL10289079 0.82 FFAR1 (0.47) KMT2ACPS1FPR1FPR2
SCHEMBL10288350 0.82 FFAR1 (0.47) KMT2ACPS1FPR1FPR2
SCHEMBL2762178 0.82 KDM1A (0.50) KMT2AMC4RMC5RMEN1
SCHEMBL12536942 0.81 DRD2 (0.54) MC4R

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 KMT2A 1449/4885ALDH1A1 2242/4885GAA 4674/4885

“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.