SCHEMBL13629864

SCHEMBL13629864

CCN(CC)C1CCN(C2=NC(=O)/C(=C/c3ccc(F)cc3O)S2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.46
▸ KMT2A Q03164 10/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ GRIN1 Q05586 2/20 0.46
▸ GRIN2B Q13224 2/20 0.46
▸ AMY1A P0DUB6 1/20 0.43
▸ SENP1 Q9P0U3 1/20 0.43
▸ GFER P55789 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ PSMD14 O00487 1/20 0.41
▸ RAB9A P51151 2/20 0.41

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
SCHEMBL13629863 0.93 MEN1 (0.46) MEN1KMT2ANPC1GRIN1GRIN2B
SCHEMBL13629839 0.90 MEN1 (0.48) MEN1KMT2ANPC1GRIN1GRIN2B
SCHEMBL3430941 0.90 MEN1 (0.48) MEN1KMT2ANPC1GRIN1GRIN2B
SCHEMBL3430946 0.90 MEN1 (0.48) MEN1KMT2ANPC1GRIN1GRIN2B
SCHEMBL13630611 0.86 MEN1 (0.47) MEN1KMT2ANPC1GFERGAA
SCHEMBL13630352 0.85 MEN1 (0.43) MEN1KMT2ANPC1GRIN1GRIN2B
SCHEMBL13630619 0.84 MEN1 (0.45) MEN1KMT2ANPC1GFERGAA
SCHEMBL13630616 0.83 NPC1 (0.45) MEN1KMT2ANPC1GFERPSMD14
SCHEMBL13616316 0.82 MEN1 (0.48) MEN1KMT2ANPC1GRIN1GRIN2B
SCHEMBL13616134 0.82 MEN1 (0.48) MEN1KMT2ANPC1GRIN1GRIN2B

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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — US disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 — — WO 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR MEN1 4697/4885KMT2A 1752/4885NPC1 2712/4885

“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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