SCHEMBL10108762

SCHEMBL10108762

CC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1C(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.74
POLB P06746 1/20 0.74
MAPK1 P28482 1/20 0.74
CACNA1D Q01668 1/20 0.74
KCNH2 Q12809 1/20 0.74
CACNA1S Q13698 1/20 0.74
CACNA1C Q13936 1/20 0.74
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
GSK3B P49841 16/20 0.57
TOP2A P11388 2/20 0.55
TOP2B Q02880 2/20 0.55

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
SCHEMBL8201556 0.89 CACNA1F (0.78) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10123852 0.86 CACNA1F (0.74) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL12665464 0.86 KCNH2 (0.74) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9147650 0.86 CACNA1F (0.79) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL2739184 0.86 CACNA1F (0.73) CACNA1FPOLBMAPK1CACNA1DKCNH2
Sparfloxacin SCHEMBL41311 0.85 KCNH2 (1.00) CACNA1FPOLBMAPK1CACNA1DKCNH2
Sparfloxacin SCHEMBL1387460 0.85 KCNH2 (1.00) CACNA1FPOLBMAPK1CACNA1DKCNH2
Sparfloxacin SCHEMBL2637186 0.85 KCNH2 (1.00) CACNA1FPOLBMAPK1CACNA1DKCNH2
Sparfloxacin SCHEMBL29365159 0.85 KCNH2 (1.00) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10679561 0.85 CACNA1F (0.78) CACNA1FPOLBMAPK1CACNA1DKCNH2

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 CACNA1F 1591/4885POLB 2231/4885MAPK1 3163/4885

“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.