SCHEMBL6770677

SCHEMBL6770677

CC(C)C[C@H](NC(=O)Nc1ccc(Nc2ccccc2)cc1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 18/20 0.75
CAPNS1 P04632 4/20 0.51
CASP3 P42574 1/20 0.48

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
SCHEMBL3329295 0.86 CAPN1 (1.00) CAPN1CAPNS1CASP3
SCHEMBL7520605 0.82 CAPN1 (0.65) CAPN1CAPNS1CASP3
SCHEMBL7522342 0.82 CAPN1 (0.65) CAPN1CAPNS1CASP3
SCHEMBL8809577 0.81 CAPN1 (0.71) CAPN1CAPNS1CASP3
SCHEMBL8809563 0.81 CAPN1 (0.71) CAPN1CAPNS1CASP3
SCHEMBL5694021 0.80 CAPN1 (0.78) CAPN1CAPNS1
SCHEMBL4968796 0.79 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL8810647 0.79 CAPN1 (0.67) CAPN1CAPNS1CASP3
SCHEMBL8810659 0.79 CAPN1 (0.67) CAPN1CAPNS1CASP3
SCHEMBL4972742 0.78 CAPN1 (1.00) CAPN1CAPNS1

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-20040180936-A1 Heterocyclic compounds and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIEQUES (S.C.R.A.S.) 2004-09-16 US disclosed
US-6747024-B1 INHIBITING CALPAIN AND/OR REACTIVE OXYGEN SPECIES IN WARM-BLOODED ANIMALS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-06-08 US disclosed
EP-1233962-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-28 EP disclosed
WO-2001032654-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-10 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 (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-20040180936-A1 Heterocyclic compounds and their use as medicaments CAPN1, CAPN2, CAPNS1 CAPN1 1/4885CAPNS1 3/4885CASP3 391/4885

“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.