SCHEMBL1945987

SCHEMBL1945987

COC(=O)N1CCN(C(=O)[C@@H]2CN(c3ccc(=O)n(C)n3)C[C@H]2c2ccc(Cl)cn2)CCC[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
CCNC P24863 5/20 0.36
CDK8 P49336 5/20 0.36
MC4R P32245 4/20 0.36
ROCK2 O75116 1/20 0.34
MDM2 Q00987 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
DRD2 P14416 1/20 0.34
GSK3A P49840 1/20 0.34
CDK9 P50750 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL1945984 0.92 MDM2 (0.34) HRH3CCNCCDK8MDM2ADORA3
SCHEMBL12536338 0.92 ENPP2 (0.37) HRH3CCNCCDK8MC4RMDM2
SCHEMBL12536340 0.90 MC4R (0.38) HRH3CCNCCDK8MC4RMDM2
SCHEMBL1920195 0.90 MC4R (0.37) HRH3CCNCCDK8MC4R
SCHEMBL12536382 0.87 RXFP1 (0.38) CCNCCDK8MC4RROCK2
SCHEMBL1947861 0.85 TACR3 (0.40) MC4RNPBWR1
SCHEMBL13493005 0.85 TACR3 (0.40) MC4RNPBWR1
SCHEMBL1919620 0.85 MC4R (0.44) MC4R
SCHEMBL12536408 0.85 MC4R (0.44) MC4R
SCHEMBL13493146 0.85 MC4R (0.44) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592403-B2 Diazepine and diazocane compounds as MC4 agonists PFIZER LIMITED (GB) 2013-11-26 US disclosed
EP-2326638-B9 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-11-13 EP disclosed
EP-2326638-B9 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-11-13 EP disclosed
EP-2326638-B1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-06-19 EP 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

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 HRH3 37/4885CCNC 1404/4885CDK8 888/4885

“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.