SCHEMBL10108680

SCHEMBL10108680

CC(C)(C)N(c1cccc(C(F)(F)F)c1)c1ccccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.45
GRIK1 P39086 1/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
UGT1A1 P22309 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL11347335 0.84 RXFP1 (0.47) TAS2R14GRIK1AKR1C3AKR1C2MEN1
SCHEMBL4251059 0.83 ALDH1A1 (0.45) MEN1KMT2AGAAALDH1A1CYP3A4
SCHEMBL10946240 0.82 GRIK1 (0.47) TAS2R14GRIK1MEN1KMT2AGAA
SCHEMBL10123733 0.81 LTC4S (0.47) TAS2R14GRIK1AKR1C3AKR1C2MEN1
SCHEMBL10599602 0.81 MEN1 (0.45) TAS2R14GRIK1AKR1C3AKR1C2MEN1
SCHEMBL10108729 0.80 ALDH1A1 (0.54) TAS2R14AKR1C3AKR1C2MEN1KMT2A
SCHEMBL12084071 0.80 TSHR (0.45) MEN1KMT2AGAAALDH1A1CYP3A4
SCHEMBL7062441 0.79 PTPN1 (0.54) GRIK1MEN1KMT2AGAAGMNN
SCHEMBL6440646 0.79 GRIK1 (0.44) TAS2R14GRIK1MEN1KMT2AGAA
SCHEMBL14399046 0.79 MEN1 (0.43) TAS2R14GRIK1AKR1C3AKR1C2MEN1

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 TAS2R14 4706/4885GRIK1 521/4885AKR1C3 991/4885

“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.