SCHEMBL4669277

SCHEMBL4669277

CN1CCC(NC(=O)C(Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.49
KLK7 P49862 1/20 0.46
CCKAR P32238 4/20 0.46
CCKBR P32239 4/20 0.46
ACE P12821 1/20 0.45
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
AKT1 P31749 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL3054407 0.85 SCN9A (0.64) SCN9ACCKARCCKBRACECTSS
SCHEMBL3429311 0.83 ACE (0.56) ACECTSSCTSLCTSBCTSK
SCHEMBL17642069 0.83 ACE (0.56) ACECTSSCTSLCTSBCTSK
SCHEMBL6873959 0.83 KLK7 (0.41) SCN9AKLK7CCKARCCKBRACE
SCHEMBL13792761 0.82 MCHR1 (0.45) SCN9AKLK7
SCHEMBL4670787 0.81 TRHR (0.43) DRD2
SCHEMBL19508750 0.81 KLK5 (0.51) KLK7ACECTSSCTSLCTSB
SCHEMBL30064788 0.81 CTSS (0.47) SCN9AKLK7CCKARCCKBRACE
SCHEMBL5358340 0.80 MAPT (0.46) KLK7ACECTSSCTSLCTSB
SCHEMBL3957208 0.79 SCN9A (0.58) SCN9AACECTSSCTSLCTSB

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-20090170749-A1 Novel Compounds Which Interact With PEA-15 INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-07-02 US disclosed
EP-1903052-A2 APJ receptor ligands and uses thereof Faust Pharmaceuticals SA (FR) 2008-03-26 EP 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 (1 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-20090170749-A1 Novel Compounds Which Interact With PEA-15 PEBP1, EPS15, PSTPIP2 SCN9A 4242/4885KLK7 2623/4885CCKAR 4304/4885

“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.