SCHEMBL2837258

SCHEMBL2837258

O=C(O)N1[C@@H](c2cccc(O)c2)CC[C@]12CCNC2=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.37
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
OPRM1 P35372 3/20 0.34
DHFR P00374 1/20 0.34
OPRD1 P41143 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD4 P21917 1/20 0.34
CYP19A1 P11511 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL2834429 0.85 ESR2 (0.35) OPRM1OPRD1HSD17B10OPRK1
SCHEMBL483473 0.84 NR1H2 (0.38) KIF11ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL2831519 0.78 ESR2 (0.34) OPRM1OPRD1ALDH1A1ALOX15MAPK1
SCHEMBL2835406 0.73 HPD (0.42)
SCHEMBL310424 0.69 DDB1 (0.36) MAPK1
SCHEMBL483138 0.69 DDB1 (0.36) MAPK1
SCHEMBL15537399 0.69 TRPV3 (0.42)
SCHEMBL483474 0.68 GRIN1 (0.34) OPRM1OPRD1OPRK1
SCHEMBL15057022 0.66 SLC22A12 (0.38) KIF11OPRD1
SCHEMBL28097481 0.64 HSP90AA1 (0.53) KIF11OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
EP-1934176-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2008-06-25 EP disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 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 (2 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 KIF11 2162/4885CHRNB4 3438/4885CHRNA3 4144/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KIF11 3728/4885CHRNB4 168/4885CHRNA3 112/4885

“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.