SCHEMBL14959567

SCHEMBL14959567

COCC1c2ccccc2CCN1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.52
MTNR1A P48039 1/20 0.52
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
OPRM1 P35372 2/20 0.45
OPRK1 P41145 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DRD1 P21728 1/20 0.44
KEAP1 Q14145 3/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRD1 P41143 1/20 0.44
ACE P12821 2/20 0.43

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
SCHEMBL12187751 0.89 MTNR1B (0.49) MTNR1BOPRM1OPRK1ALDH1A1NPSR1
SCHEMBL11929926 0.87 MTNR1B (0.47) MTNR1BMTNR1AALDH1A1NPSR1DRD1
SCHEMBL14959565 0.85 OPRD1 (0.49) MTNR1BMTNR1ACYP3A4CYP2D6CYP2C19
SCHEMBL8125912 0.83 MTNR1B (0.54) MTNR1BOPRM1OPRK1ALDH1A1NPSR1
SCHEMBL8125915 0.83 MTNR1B (0.54) MTNR1BOPRM1OPRK1ALDH1A1NPSR1
SCHEMBL8125910 0.83 MTNR1B (0.54) MTNR1BOPRM1OPRK1ALDH1A1NPSR1
SCHEMBL8230760 0.81 MAPK1 (0.57) MTNR1BMTNR1ACYP3A4CYP2D6CYP2C19
SCHEMBL8225691 0.79 MTNR1A (0.41) MTNR1BMTNR1ACYP3A4CYP2D6CYP2C19
SCHEMBL7152377 0.79 ACE (0.60) MTNR1BMTNR1ACYP2D6ACE
SCHEMBL7368230 0.78 MTNR1B (0.50) MTNR1BALDH1A1NPSR1DRD1KEAP1

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-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

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 MTNR1B 346/4885MTNR1A 738/4885CYP3A4 68/4885

“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.