SCHEMBL1920545

SCHEMBL1920545

COC(=O)[C@@H]1CN(c2ccc(=O)n(C)n2)C[C@@H]1c1ccc(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE10A Q9Y233 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GRM4 Q14833 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
SCHEMBL14700307 1.00 HRH3 (0.35) HRH3L3MBTL1PDE10ASLC6A2SLC6A4
SCHEMBL733358 1.00 HRH3 (0.35) HRH3L3MBTL1PDE10ASLC6A2SLC6A4
SCHEMBL733502 0.89 HRH3 (0.35) HRH3L3MBTL1PDE10ASLC6A4GRM4
SCHEMBL3262449 0.89 HRH3 (0.35) HRH3L3MBTL1PDE10ASLC6A4GRM4
SCHEMBL15039688 0.88 HRH3 (0.35) HRH3PDE10ASLC6A2SLC6A4SLC6A3
SCHEMBL2307110 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL731967 0.82 KMT2A (0.51) GRM4
SCHEMBL733745 0.82 HRH3 (0.35) HRH3GRM4
SCHEMBL1947120 0.81 RXFP1 (0.40)
SCHEMBL1945984 0.80 MDM2 (0.34) 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 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 HRH3 37/4885L3MBTL1 2132/4885PDE10A 827/4885

“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.