SCHEMBL10108911

SCHEMBL10108911

Cc1c(CN2CCc3c(c4ccccc4n3C)C2=O)ncn1C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.64
HTR2B P41595 4/20 0.64
HTR2A P28223 4/20 0.64
CYP3A4 P08684 3/20 0.64
CYP1A2 P05177 3/20 0.64
HTR2C P28335 3/20 0.64
HTR3A P46098 2/20 0.64
ADRA2C P18825 1/20 0.64
ADRA1A P35348 1/20 0.64
CASP6 P55212 1/20 0.63
CYP2D6 P10635 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL10123935 0.85 KCNH2 (0.66) KCNH2HTR2BHTR2ACYP3A4CYP1A2
SCHEMBL1484 0.82 KCNH2 (0.62) KCNH2HTR2BHTR2ACYP3A4CYP1A2
Maleic Acid SCHEMBL9675 0.81 KCNH2 (0.60) KCNH2HTR2BHTR2ACYP3A4CYP1A2
SCHEMBL1101 0.81 KCNH2 (0.60) KCNH2HTR2BHTR2ACYP3A4CYP1A2
Fumaric Acid SCHEMBL9676 0.81 KCNH2 (0.60) KCNH2HTR2BHTR2ACYP3A4CYP1A2
Alosetron SCHEMBL29377019 0.78 KCNH2 (1.00) KCNH2HTR2BHTR2ACYP3A4CYP1A2
Alosetron SCHEMBL631 0.78 KCNH2 (1.00) KCNH2HTR2BHTR2ACYP3A4CYP1A2
Alosetron SCHEMBL29387635 0.78 CASP6 (1.00) KCNH2HTR2BHTR2ACYP3A4CYP1A2
Alosetron SCHEMBL806 0.78 CASP6 (1.00) KCNH2HTR2BHTR2ACYP3A4CYP1A2
SCHEMBL1133 0.77 KCNH2 (0.56) KCNH2HTR2BHTR2ACYP3A4CYP1A2

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 KCNH2 1906/4885HTR2B 1257/4885HTR2A 1087/4885

“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.