SCHEMBL10124232

SCHEMBL10124232

CCn1c(N)nc(=O)c2c(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c[nH]c21

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 10/20 0.64
▸ TYMS P04818 7/20 0.64
▸ GART P22102 5/20 0.63
▸ ATIC P31939 3/20 0.63
▸ SHMT1 P34896 2/20 0.63
▸ FOLR2 P14207 1/20 0.63
▸ FOLR1 P15328 1/20 0.63
▸ SLC19A1 P41440 1/20 0.63
▸ FRK P42685 1/20 0.63
▸ SLC46A1 Q96NT5 1/20 0.63
▸ SHMT2 P34897 1/20 0.46

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
SCHEMBL27994242 0.90 DHFR (0.66) DHFRTYMSGARTATICSHMT1
SCHEMBL27994239 0.90 DHFR (0.66) DHFRTYMSGARTATICSHMT1
SCHEMBL10109251 0.88 DHFR (0.63) DHFRTYMSGARTATICSHMT1
Pemetrexed SCHEMBL572065 0.82 GART (0.73) DHFRTYMSGARTATICSHMT1
Pemetrexed SCHEMBL7968 0.81 GART (0.77) DHFRTYMSGARTATICSHMT1
Pemetrexed SCHEMBL6034765 0.81 GART (0.77) DHFRTYMSGARTATICSHMT1
Pemetrexed SCHEMBL2549428 0.81 GART (0.77) DHFRTYMSGARTATICSHMT1
Pemetrexed SCHEMBL7969 0.81 GART (0.77) DHFRTYMSGARTATICSHMT1
SCHEMBL10123946 0.81 GART (0.62) DHFRTYMSGARTATICSHMT1
SCHEMBL17794005 0.81 DHFR (0.72) DHFRTYMSGARTATICSHMT1

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 DHFR 593/4885TYMS 775/4885GART 1827/4885

“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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