SCHEMBL6701976

SCHEMBL6701976

Cc1nc[nH]c1CN1c2ccccc2CC(C(=O)OC(C)(C)C)CN1CCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.36
MTNR1B P49286 2/20 0.36
CYP2C9 P11712 2/20 0.35
DRD2 P14416 1/20 0.33
SCN9A Q15858 2/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 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
SCHEMBL6701975 0.82 L3MBTL1 (0.35) CYP2C9
SCHEMBL7255157 0.79 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL6695838 0.71 CYP2C9 (0.39) CYP2C9DRD2
SCHEMBL6695049 0.70 OPRD1 (0.36) MTNR1AMTNR1B
SCHEMBL7255081 0.69 EPHX2 (0.32) DRD2
SCHEMBL6697271 0.69 POLB (0.39) MTNR1AMTNR1BDRD2
SCHEMBL8569022 0.66 NPC1 (0.55)
SCHEMBL8569027 0.66 NPC1 (0.55)
SCHEMBL8569024 0.66 NPC1 (0.55)
SCHEMBL25173575 0.62 S1PR5 (0.56)

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-20040009972-A1 Benzodiazepine inhibitors of mitochondial F1F0 ATP hydrolase and methods of inhibiting F1F0 ATP hydrolase BRISTOL-MYERS COMPANY 2004-01-15 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-20040009972-A1 Benzodiazepine inhibitors of mitochondial F1F0 ATP hydrolase and methods of inhibiting F1F0 ATP hydrolase MT-ATP6, MT-CO1, ATP5ME MTNR1A 304/4885MTNR1B 357/4885CYP2C9 229/4885

“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.