SCHEMBL10108842

SCHEMBL10108842

CC(C)(C)n1cnc(CC(N)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CPB2 Q96IY4 10/20 0.40
▸ CPB1 P15086 4/20 0.40
▸ GRIA1 P42261 3/20 0.39
▸ GRIA2 P42262 3/20 0.39
▸ GRIA3 P42263 3/20 0.39
▸ GRIA4 P48058 3/20 0.39
▸ SLC1A3 P43003 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ SLC7A5 Q01650 1/20 0.38
▸ TYR P14679 2/20 0.37

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
SCHEMBL13601990 0.87 CYP1A2 (0.38) CYP1A2CPB2CPB1GRIA1GRIA2
SCHEMBL3839522 0.80 SIRT2 (0.49) CYP1A2CPB2CPB1ALPIPKM
SCHEMBL21690129 0.80 SIRT2 (0.49) CYP1A2CPB2CPB1ALPIPKM
SCHEMBL6773700 0.80 SIRT2 (0.49) CYP1A2CPB2CPB1ALPIPKM
SCHEMBL28977981 0.80 SLC7A5 (0.44) CYP1A2CPB2CPB1GRIA1GRIA2
SCHEMBL52215 0.80 CYP2C9 (0.47) CYP1A2CPB2CPB1GRIA1GRIA2
SCHEMBL28977985 0.80 SLC7A5 (0.44) CYP1A2CPB2CPB1GRIA1GRIA2
SCHEMBL52216 0.80 CYP2C9 (0.47) CYP1A2CPB2CPB1GRIA1GRIA2
SCHEMBL7001068 0.80 SLC7A5 (0.44) CYP1A2CPB2CPB1GRIA1GRIA2
SCHEMBL4437439 0.80 SLC7A5 (0.44) CYP1A2CPB2CPB1GRIA1GRIA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573895-A Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2017-04-19 — — CN claimed
CN-106573895-A Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2017-04-19 — — CN 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-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 CYP1A2 537/4885CPB2 97/4885CPB1 61/4885

“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.

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