SCHEMBL5028491

SCHEMBL5028491

CCc1cnc(N(C)CC2CCC(C(=O)OC3CC3)(C(C(N)=O)N(C)C)CC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.35
ACACB O00763 1/20 0.30

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
SCHEMBL5024132 0.89 GRIN2B (0.33) GRIN2B
SCHEMBL5025534 0.69 TAS2R14 (0.40) GRIN2BACACB
SCHEMBL5025529 0.69 TAS2R14 (0.40) GRIN2BACACB
SCHEMBL5030210 0.69 GRIN2B (0.34) GRIN2BACACB
SCHEMBL5030212 0.68 TAS2R14 (0.38) GRIN2B
SCHEMBL5762324 0.62 GRIN2B (0.32) GRIN2BACACB
SCHEMBL5028487 0.62 GRIN2B (0.35) GRIN2BACACB
SCHEMBL5762617 0.60 GRIN2B (0.32) GRIN2B
SCHEMBL5762622 0.60 GRIN2B (0.32) GRIN2B
SCHEMBL12503500 0.59 ALDH1A1 (0.41)

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-7442791-B2 Aminoalkylamide substituted cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1667962-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-14 EP disclosed
WO-2005028427-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 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 (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-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives LSS, CYP51A1, CYP46A1 GRIN2B 4512/4885ACACB 372/4885

“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.