SCHEMBL3060277

SCHEMBL3060277

C[C@H](CSC#N)NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.35
▸ MTNR1B P49286 3/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL19137606 0.77 MMP1 (0.37) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL19137604 0.77 MMP1 (0.37) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL4981616 0.76 — —
SCHEMBL19137561 0.76 — —
SCHEMBL4981625 0.76 — —
SCHEMBL13088483 0.75 CTSK (0.49) CYP2D6CYP2C19
SCHEMBL19137472 0.74 ALDH1A1 (0.35) MTNR1AMTNR1B
SCHEMBL19137473 0.74 ALDH1A1 (0.35) MTNR1AMTNR1B
SCHEMBL16648848 0.72 — —
SCHEMBL4322486 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-10-21 — — 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-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES GRIN3A, OPRK1, CHRNA3 MTNR1A 335/4885MTNR1B 302/4885MEN1 4766/4885

“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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