SCHEMBL1945984

SCHEMBL1945984

COC(=O)N1CCCCN(C(=O)[C@@H]2CN(c3ccc(=O)n(C)n3)C[C@H]2c2ccc(Cl)cn2)CC1c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
EIF4A3 P38919 5/20 0.32
CCNC P24863 3/20 0.32
CDK8 P49336 3/20 0.32
F10 P00742 1/20 0.32
TACR3 P29371 1/20 0.32

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
SCHEMBL1945987 0.92 HRH3 (0.37) MDM2HRH3ADORA3MAPTRECQL
SCHEMBL1920193 0.87 TACR3 (0.34) MDM2HRH3EIF4A3TACR3
SCHEMBL1919618 0.85 MC4R (0.44)
SCHEMBL1947860 0.84 TACR3 (0.40) MDM2EIF4A3TACR3
SCHEMBL12536338 0.83 ENPP2 (0.37) MDM2HRH3CCNCCDK8
SCHEMBL1920195 0.81 MC4R (0.37) HRH3CCNCCDK8
SCHEMBL12536340 0.81 MC4R (0.38) MDM2HRH3CCNCCDK8
SCHEMBL733358 0.80 HRH3 (0.35) HRH3
SCHEMBL1920545 0.80 HRH3 (0.35) HRH3
SCHEMBL14700307 0.80 HRH3 (0.35) HRH3

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-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-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

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 MDM2 1989/4885HRH3 37/4885ADORA3 113/4885

“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.