SCHEMBL1945899

SCHEMBL1945899

CC1[C@@H](C(=O)O)[C@@H](c2ccc(Cl)cn2)CN1c1ccc(=O)n(C)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NTRK1 P04629 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL733359 1.00 PDE10A (0.34) PDE10ABRD4BRD2BRD3L3MBTL1
SCHEMBL2307114 0.85 BRD4 (0.42) BRD4BRD2BRD3L3MBTL1HRH3
SCHEMBL731968 0.82 LMNA (0.42) SMN1; SMN2HTT
SCHEMBL733746 0.82 SMO (0.33) PDE10AHRH3MAPT
SCHEMBL3262449 0.79 HRH3 (0.35) PDE10ABRD4BRD2BRD3L3MBTL1
SCHEMBL733502 0.79 HRH3 (0.35) PDE10ABRD4BRD2BRD3L3MBTL1
SCHEMBL1920545 0.73 HRH3 (0.35) PDE10AL3MBTL1HRH3
SCHEMBL14700307 0.73 HRH3 (0.35) PDE10AL3MBTL1HRH3
SCHEMBL733358 0.73 HRH3 (0.35) PDE10AL3MBTL1HRH3
SCHEMBL734283 0.71 SCD5 (0.41) BRD4L3MBTL1HTTMAPT

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 1 patent. 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

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 PDE10A 827/4885BRD4 92/4885BRD2 574/4885

“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.