SCHEMBL12187751

SCHEMBL12187751

CCOC(=O)N1CCc2ccccc2C1COC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.49
OPRM1 P35372 3/20 0.46
OPRK1 P41145 3/20 0.46
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 2/20 0.45
OPRD1 P41143 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
DRD1 P21728 1/20 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
SCHEMBL14959567 0.89 MTNR1B (0.52) MTNR1BOPRM1OPRK1ALDH1A1KMT2A
SCHEMBL11929926 0.85 MTNR1B (0.47) MTNR1BALDH1A1KMT2ANPSR1MEN1
SCHEMBL7214029 0.85 MTNR1B (0.50) MTNR1BOPRM1OPRK1ALDH1A1KMT2A
SCHEMBL11934342 0.85 OPRD1 (0.51) MTNR1BOPRM1OPRK1ALDH1A1KMT2A
SCHEMBL11934341 0.81 MAPK1 (0.56) MTNR1BOPRM1OPRK1ALDH1A1KMT2A
SCHEMBL8125910 0.81 MTNR1B (0.54) MTNR1BOPRM1OPRK1ALDH1A1KMT2A
SCHEMBL8125912 0.81 MTNR1B (0.54) MTNR1BOPRM1OPRK1ALDH1A1KMT2A
SCHEMBL8125915 0.81 MTNR1B (0.54) MTNR1BOPRM1OPRK1ALDH1A1KMT2A
SCHEMBL11934339 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL7344341 0.80 ACE (0.61) MTNR1BALDH1A1KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 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 (3 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 MTNR1B 885/4885OPRM1 545/4885OPRK1 655/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 MTNR1B 885/4885OPRM1 545/4885OPRK1 655/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 MTNR1B 885/4885OPRM1 545/4885OPRK1 655/4885

“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.