SCHEMBL6071145

SCHEMBL6071145

COC(=O)CC(NC(C)c1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.44
PRNP P04156 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
KCNA5 P22460 4/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ADORA2A P29274 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
S1PR3 Q99500 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.38
APAF1 O14727 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL6071205 0.89 ALDH1A1 (0.41) PRNPNPSR1RXFP1TSHRGAA
SCHEMBL6071015 0.89 L3MBTL1 (0.40) GAAALDH1A1HSD17B10S1PR3CYP1A2
SCHEMBL4858585 0.80 KCNA5 (0.49) TACR3KCNA5CA12CA7CA9
SCHEMBL6071175 0.79 TACR3 (0.45) TACR3ALDH1A1HSD17B10KDM4E
SCHEMBL6070967 0.75 L3MBTL1 (0.48) NPSR1ADORA2ACYP1A2
SCHEMBL6070725 0.74 ALDH1A1 (0.51) TACR3KCNA5CA12CA7CA9
SCHEMBL8119650 0.73 SIGMAR1 (0.53) KCNA5CA12CA7CA9CA14
SCHEMBL4851208 0.73 SIGMAR1 (0.53) KCNA5CA12CA7CA9CA14
SCHEMBL20577929 0.73 SIGMAR1 (0.53) KCNA5CA12CA7CA9CA14
SCHEMBL6071535 0.71 SMN1; SMN2 (0.43) PRNPNPSR1RXFP1USP2TSHR

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 993/4885PRNP 2536/4885NPSR1 246/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 TACR3 1311/4885PRNP 2330/4885NPSR1 326/4885

“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.