SCHEMBL4223205

SCHEMBL4223205

CCNC(=O)[C@H]1CC[C@H](OC)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
EPHX1 P07099 1/20 0.42
KMT2A Q03164 1/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
HSP90AB1 P08238 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NAAA Q02083 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL4223207 1.00 OPRM1 (0.48) OPRM1EPHX1KMT2AHTR1ADRD2
SCHEMBL1678458 0.85
Hydrochloric Acid SCHEMBL28988641 0.83
SCHEMBL17506555 0.83 EPHX1 (0.41) OPRM1EPHX1KMT2AGNAI3GNAO1
SCHEMBL3578679 0.82 GAA (0.47) EPHX1KMT2AMTNR1AMTNR1BGNAI3
SCHEMBL3578682 0.82 GAA (0.47) EPHX1KMT2AMTNR1AMTNR1BGNAI3
SCHEMBL25781896 0.81 OPRM1 (0.43) OPRM1KMT2AHTR1ADRD2DRD4
SCHEMBL23890497 0.78 KMT2A (0.45) EPHX1KMT2AGNAI3GNAO1GNAI1
SCHEMBL15386511 0.78 ADORA3 (0.41) OPRM1HTR1ADRD2DRD4SMN1; SMN2
SCHEMBL15199084 0.78 KMT2A (0.45) OPRM1EPHX1KMT2AGNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 US disclosed
US-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 US disclosed
US-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 US disclosed
EP-1968941-A1 PYRIDINYL AMINE DERIVATIVES AS INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007073934-A1 PYRIDINYL AMINE DERIVATIVES AS INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) NOVARTIS AG (CH) 2007-07-05 WO disclosed
WO-2007073934-A1 PYRIDINYL AMINE DERIVATIVES AS INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) NOVARTIS AG (CH) 2007-07-05 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-20090075968-A1 CETP inhibitors CETP, PCSK9, MTTP OPRM1 4374/4885EPHX1 1398/4885KMT2A 1987/4885

“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.