SCHEMBL8227352

SCHEMBL8227352

COC(=O)N1CCc2cc(OC)ccc2C1CN(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
MTNR1B P49286 2/20 0.53
GRIN2C Q14957 3/20 0.50
MTNR1A P48039 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11934338 0.91 MTNR1B (0.52) CYP3A4CYP2D6CYP2C19MTNR1BGRIN2C
SCHEMBL11929928 0.89 GHSR (0.54) CYP3A4CYP2D6CYP2C19MTNR1BGRIN2C
SCHEMBL14959565 0.83 OPRD1 (0.49) CYP3A4CYP2D6CYP2C19MTNR1BMTNR1A
SCHEMBL14959566 0.80 CYP2C19 (0.53) CYP3A4CYP2D6CYP2C19MTNR1BGRIN2C
SCHEMBL9529417 0.80 OPRK1 (0.64) MTNR1BGRIN2C
Hydrochloric Acid SCHEMBL9530248 0.79 OPRK1 (0.62) MTNR1BGRIN2C
SCHEMBL31739177 0.77 GHSR (0.45) MTNR1BALDH1A1
SCHEMBL4674938 0.76 CA1 (0.53) CYP3A4CYP2D6CYP2C19MTNR1BKDM4E
SCHEMBL14959494 0.73 ACE (0.41) MTNR1BMTNR1AKDM4EALDH1A1
SCHEMBL11934342 0.72 OPRD1 (0.51) MTNR1BKDM4EALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 US disclosed
WO-2007133865-A2 HCV/HIV INHIBITORS AN THEIR USES NOVARTIS AG (CH) 2007-11-22 WO 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-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A CYP3A4 68/4885CYP2D6 114/4885CYP2C19 170/4885

“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.