SCHEMBL8230760

SCHEMBL8230760

COC(=O)N1CCc2ccccc2C1CN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 2/20 0.51
OPRD1 P41143 3/20 0.49
MTNR1B P49286 2/20 0.46
MTNR1A P48039 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRK1 P41145 1/20 0.44
BCHE P06276 6/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL11934341 0.90 MAPK1 (0.56) MAPK1SMN1; SMN2NPSR1OPRD1MTNR1B
SCHEMBL11929936 0.88 MAPK1 (0.54) MAPK1SMN1; SMN2NPSR1OPRD1MTNR1B
SCHEMBL14959566 0.84 CYP2C19 (0.53) MAPK1MTNR1BMTNR1AALDH1A1KDM4E
SCHEMBL14959567 0.81 MTNR1B (0.52) NPSR1OPRD1MTNR1BMTNR1AALDH1A1
SCHEMBL14959565 0.78 OPRD1 (0.49) OPRD1MTNR1BMTNR1AOPRK1CYP3A4
SCHEMBL12187750 0.76 MTNR1B (0.48) MTNR1BALDH1A1KDM4ELMNAMAPT
SCHEMBL11929930 0.75 GHSR (0.49) MTNR1BALDH1A1KDM4ELMNACYP3A4
SCHEMBL12162579 0.74 MAPK1 (0.41) MAPK1SMN1; SMN2NPSR1LMNAMAPT
SCHEMBL7037160 0.73 MTNR1B (0.48) MAPK1SMN1; SMN2NPSR1OPRD1MTNR1B
SCHEMBL20788105 0.73 OPRM1 (0.54) MAPK1SMN1; SMN2NPSR1OPRD1ALDH1A1

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 MAPK1 4701/4885SMN1; SMN2 1149/4885NPSR1 2140/4885

“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.