SCHEMBL3400337

SCHEMBL3400337

O=C1N=C(N2CCC[C@@H]2CO)S/C1=C\c1ccc(F)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.45
▸ GRIN2B Q13224 2/20 0.45
▸ SENP1 Q9P0U3 1/20 0.42
▸ MEN1 O00255 10/20 0.42
▸ KMT2A Q03164 10/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ AMY1A P0DUB6 1/20 0.40
▸ GFER P55789 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ CDK8 P49336 1/20 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
SCHEMBL3429056 1.00 GRIN1 (0.45) GRIN1GRIN2BSENP1MEN1KMT2A
SCHEMBL3429057 1.00 GRIN1 (0.45) GRIN1GRIN2BSENP1MEN1KMT2A
SCHEMBL3400342 1.00 GRIN1 (0.45) GRIN1GRIN2BSENP1MEN1KMT2A
SCHEMBL3425537 0.92 MEN1 (0.44) GRIN1GRIN2BSENP1MEN1KMT2A
SCHEMBL3425534 0.92 MEN1 (0.44) GRIN1GRIN2BSENP1MEN1KMT2A
SCHEMBL3430708 0.91 GRIN1 (0.45) GRIN1GRIN2BSENP1MEN1KMT2A
SCHEMBL3430706 0.91 GRIN1 (0.45) GRIN1GRIN2BSENP1MEN1KMT2A
SCHEMBL3426038 0.83 MEN1 (0.42) GRIN1GRIN2BSENP1MEN1KMT2A
SCHEMBL3426036 0.83 MEN1 (0.42) GRIN1GRIN2BSENP1MEN1KMT2A
SCHEMBL13747638 0.82 MEN1 (0.41) GRIN1GRIN2BMEN1KMT2AKDM4E

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
EP-2250167-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS Chlorion Pharma, Inc. (CA) 2010-11-17 — — EP disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — US disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — US disclosed
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
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 GRIN1 944/4885GRIN2B 826/4885SENP1 4049/4885

“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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