SCHEMBL6070332

SCHEMBL6070332

COC(=O)CC(NCC1(C)C=CC=CC1)c1ccc2ccccc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.33
TACR3 P29371 1/20 0.33
ALOX5AP P20292 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
OPRK1 P41145 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
NPC1 O15118 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6071145 0.70 TACR3 (0.44) ADORA2AALDH1A1HSD17B10HPGDTACR3
SCHEMBL6070967 0.69 L3MBTL1 (0.48) ADORA2AMAPTLMNACYP1A2NPSR1
SCHEMBL6071535 0.63 SMN1; SMN2 (0.43) ALDH1A1HSD17B10HPGDKDM4ECYSLTR2
SCHEMBL6561240 0.63 KDM4E (0.38) ADORA2AALDH1A1HSD17B10HPGDMAPT
SCHEMBL6071015 0.60 L3MBTL1 (0.40) ALDH1A1HSD17B10ALOX5APKDM4ECYP1A2
SCHEMBL5332554 0.60 ALDH1A1 (0.43) ADORA2AALDH1A1HSD17B10HPGDMAPT
SCHEMBL24704502 0.60 CYP1A2 (0.49) ALDH1A1HPGDMAPTCYSLTR1CYP1A2
SCHEMBL4741484 0.59 CYP1A2 (0.47) ALDH1A1HSD17B10HPGDMAPTLMNA
SCHEMBL3533290 0.59 CYP1A2 (0.62) ALDH1A1HSD17B10HPGDMAPTKDM4E
SCHEMBL5336219 0.59 ALDH1A1 (0.47) ADORA2AALDH1A1HSD17B10HPGDMAPT

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-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 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 (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 ADORA2A 796/4885ALDH1A1 645/4885HSD17B10 1026/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 ADORA2A 860/4885ALDH1A1 414/4885HSD17B10 668/4885

“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.