SCHEMBL10108979

SCHEMBL10108979

CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnnn2C(C)(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.66
AGTR2 P50052 2/20 0.66
ABCB11 O95342 1/20 0.66
EGFR P00533 1/20 0.66
ERBB2 P04626 1/20 0.66
CYP3A4 P08684 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
CYP2C9 P11712 1/20 0.66
ADRB3 P13945 1/20 0.66
ADRA2B P18089 1/20 0.66
SLC6A2 P23975 1/20 0.66
TBXAS1 P24557 1/20 0.66
HTR2C P28335 1/20 0.66
PPARG P37231 1/20 0.66
HTR2B P41595 1/20 0.66
PDE3A Q14432 1/20 0.66
LTB4R2 Q9NPC1 1/20 0.66

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
SCHEMBL498030 0.92 AGTR1 (0.64) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL8203606 0.89 AGTR1 (0.69) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL5270410 0.88 AGTR1 (0.68) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL15478917 0.88 AGTR1 (0.68) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL3873571 0.87 AGTR2 (0.56) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL3429149 0.86 AGTR1 (0.57) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL3975959 0.85 AGTR1 (0.75) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL6849257 0.85 PPARG (0.64) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL10108973 0.84 ABCB11 (0.70) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL8112903 0.84 AGTR2 (0.52) AGTR1AGTR2ABCB11EGFRERBB2

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-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-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
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 AGTR1 2377/4885AGTR2 2397/4885ABCB11 836/4885

“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.