SCHEMBL1945989

SCHEMBL1945989

COC(=O)[C@@H]1CN(c2ccc(=O)n(C)n2)C[C@H]1c1ccc(OC)cc1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.43
KDM4E B2RXH2 1/20 0.41
STAT3 P40763 1/20 0.41
FPR1 P21462 7/20 0.38
FPR2 P25090 5/20 0.38
CPS1 P31327 6/20 0.36
DPP4 P27487 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL1919904 0.91 MC4R (0.45) MC4RKDM4ESTAT3FPR1FPR2
SCHEMBL1919957 0.90 MC4R (0.49) MC4R
SCHEMBL12536917 0.83 FPR1 (0.40) MC4RFPR1FPR2CPS1DPP4
SCHEMBL15039514 0.82 KDM4E (0.39) MC4RKDM4ESTAT3FPR1FPR2
SCHEMBL12536913 0.82 KMT2A (0.47) MC4RFPR1FPR2DPP4
SCHEMBL12536903 0.80 PANK3 (0.44) MC4RDPP4
SCHEMBL1948146 0.80 MC4R (0.52) MC4RDPP4
SCHEMBL13493164 0.79 MC4R (0.52) MC4R
SCHEMBL3262709 0.79 MC4R (0.52) MC4R
SCHEMBL1945992 0.77 KDM4E (0.43) MC4RKDM4ESTAT3FPR1FPR2

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-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
US-20110136814-A1 Diazepine and Diazocane Compounds As MC4 Agonists ANDREWS MARK DAVID 2011-06-09 US disclosed
WO-2010015972-A1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LIMITED (GB) 2010-02-11 WO 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 1/4885KDM4E 804/4885STAT3 4055/4885

“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.