SCHEMBL4317475

SCHEMBL4317475

O=C1CCc2ccccc2CN1.O=C1Cc2ccccc2CCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
PNMT P11086 1/20 0.44
CD44 P16070 1/20 0.44
MAOB P27338 1/20 0.44
PARP10 Q53GL7 2/20 0.43
PARP11 Q9NR21 2/20 0.43
PDPK1 O15530 1/20 0.43
PARP1 P09874 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
HTR2C P28335 1/20 0.39
AHR P35869 1/20 0.38
PDK2 Q15119 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL2061125 0.88 PARP10 (0.53) CYP2A6PNMTCD44MAOBPARP10
SCHEMBL29119467 0.86 PARP10 (0.55) CYP2A6PNMTCD44MAOBPARP10
SCHEMBL2062062 0.86 NPC1 (0.52) CYP2A6PNMTCD44MAOBPARP10
SCHEMBL89023 0.84 ALOX15 (0.56) CYP2A6PNMTCD44MAOBPARP10
SCHEMBL7596114 0.77 OR51E2 (0.48) CYP2A6MAOBPARP10PARP11PDPK1
SCHEMBL2060556 0.72 ALOX15 (0.47) PNMTCD44MAOBPARP10PARP11
SCHEMBL820510 0.69 PARP11 (0.59) CYP2A6PNMTCD44MAOBPARP10
Biphenyl SCHEMBL27603297 0.67 CRBN (0.58) PARP10PARP11PDPK1PARP1HSD17B10
SCHEMBL1263806 0.67 ASIC3 (0.55) PNMTMAOBPARP10PARP11PARP1
SCHEMBL1264716 0.67 PARP10 (0.59) PNMTPARP10PARP11PARP1HTR2C

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-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC CYP2A6 2559/4885PNMT 1031/4885CD44 1719/4885

“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.