SCHEMBL3332058

SCHEMBL3332058

C1CCC(C2CCCO2)NC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 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
SCHEMBL19288763 0.96 GRIN1 (0.38) GRIN1GRIN2A
SCHEMBL16219931 0.93 GRIN1 (0.36) GRIN1GRIN2A
SCHEMBL19937579 0.93 CHRM2 (0.34) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL3928323 0.93 CHRM2 (0.34) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL27589544 0.91 GRIN1 (0.35) GRIN1GRIN2A
SCHEMBL24702209 0.89 GRIN1 (0.33) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL18207791 0.89 GRIN1 (0.36) GRIN1GRIN2A
SCHEMBL17327469 0.89 GRIN1 (0.33) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL937953 0.86 HRH4 (0.35) GRIN1GRIN2A
SCHEMBL8232360 0.86 HRH4 (0.35) GRIN1GRIN2A

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-20230136702-A1 Inhibitors of Human Herpesviruses THE GOVERNORS OF THE UNIVERSTIY OF ALBERTA (CA) 2023-05-04 US disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 GRIN1 1328/4885GRIN2A 1112/4885CHRM2 38/4885
US-20230136702-A1 Inhibitors of Human Herpesviruses RPL5, RPL35, HAVCR2 GRIN1 1064/4885GRIN2A 1637/4885CHRM2 4496/4885

“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.