SCHEMBL6071175

SCHEMBL6071175

COC(=O)CC(NC(C)c1ccccc1)c1cnc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE4D Q08499 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
OGA O60502 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
ACP1 P24666 1/20 0.41
MGAM O43451 1/20 0.40
ACACB O00763 1/20 0.39
RAB9A P51151 1/20 0.39
SCN9A Q15858 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CFTR P13569 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
SCHEMBL4858585 0.81 KCNA5 (0.49) TACR3KMT2AALDH1A1
SCHEMBL7451882 0.80 KDM4E (0.51) TACR3KDM4EKMT2ASMN1; SMN2PDE4D
SCHEMBL6071145 0.79 TACR3 (0.44) TACR3KDM4EALDH1A1HSD17B10
SCHEMBL5041314 0.78 KDM4E (0.49) TACR3KDM4EKMT2ASMN1; SMN2PDE4D
SCHEMBL13344628 0.78 KDM4E (0.49) TACR3KDM4EKMT2ASMN1; SMN2PDE4D
Hydrochloric Acid SCHEMBL6506600 0.77 KDM4E (0.48) TACR3KDM4EKMT2ASMN1; SMN2PDE4D
SCHEMBL6070725 0.74 ALDH1A1 (0.51) TACR3KDM4EKMT2ARAB9AALDH1A1
SCHEMBL27659277 0.72 ITGB3 (0.58) KMT2APDE4DITGB3ITGA2BOGA
SCHEMBL6190703 0.72 KDM4E (0.50) KDM4EKMT2ASMN1; SMN2PDE4DOGA
SCHEMBL10154200 0.72 TRPV1 (0.46) KDM4EKMT2ASMN1; SMN2PDE4DITGB3

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-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
EP-1397136-A1 HETEROCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-03-17 EP disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 US disclosed
WO-2002096424-A1 HETEREOCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-05 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 (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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 TACR3 993/4885KDM4E 2320/4885KMT2A 1196/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 TACR3 1311/4885KDM4E 2827/4885KMT2A 1592/4885

“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.