SCHEMBL10109201

SCHEMBL10109201

COC(=O)C1=C(C)N(C(C)(C)C)C(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 9/20 0.72
CACNA1F O60840 8/20 0.72
CACNA1D Q01668 8/20 0.72
CACNA1S Q13698 8/20 0.72
ADORA3 P0DMS8 3/20 0.72
LMNA P02545 3/20 0.72
CYP1A2 P05177 3/20 0.72
ABCC4 O15439 2/20 0.72
ABCB11 O95342 2/20 0.72
ADORA2A P29274 2/20 0.72
ADORA1 P30542 2/20 0.72
OPRM1 P35372 2/20 0.72
SCN1A P35498 2/20 0.72
HTR2B P41595 2/20 0.72
KCNH2 Q12809 2/20 0.72
SCN5A Q14524 2/20 0.72
SCN2A Q99250 2/20 0.72
SCN3A Q9NY46 2/20 0.72
NR1I2 O75469 1/20 0.72
NR3C1 P04150 1/20 0.72

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
SCHEMBL10733629 0.89 CACNA1F (0.76) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL1172989 0.84 CACNA1C (1.00) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL19348996 0.84 CACNA1C (1.00) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL29420725 0.84 CACNA1C (1.00) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL39780 0.84 CACNA1C (1.00) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL39779 0.84 CACNA1C (1.00) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL3855961 0.83 CACNA1C (0.98) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL919020 0.83 CACNA1C (0.98) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
Nisoldipine SCHEMBL27608147 0.83 CACNA1C (0.98) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL4608919 0.81 CACNA1C (0.64) CACNA1CCACNA1FCACNA1DCACNA1SADORA3

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-8101782-B2 Drug hybrid of rivastigmine or physostigmine with tranylcypromine, amoxapine, desipramine, nortriptyline, protriptyline, fluoxetine, fluvoxamine, paroxetine, duloxetine, betahistine, amlodipine, proylhexedrine, rimantadine, desloratadine; Alzheimer's disease; Parkinson's disease, impairment in memory COLUCID PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20080261950-A1 Compounds that inhibit cholinesterase COLUCID PHARMACEUTICALS, INC. (US) 2008-10-23 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-20080261950-A1 Compounds that inhibit cholinesterase ACHE, BCHE, CHAT CACNA1C 1277/4885CACNA1F 1591/4885CACNA1D 1322/4885

“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.