SCHEMBL4339174

SCHEMBL4339174

O=C1N=C(N2CCN3CCC[C@@H]3C2)SC1=Cc1cc(F)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.47
SENP1 Q9P0U3 1/20 0.47
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
MEN1 O00255 12/20 0.45
KMT2A Q03164 12/20 0.45
PSMD14 O00487 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
GFER P55789 2/20 0.44
GAA P10253 1/20 0.42

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
SCHEMBL3431224 1.00 AMY1A (0.47) AMY1ASENP1GRIN1GRIN2BMEN1
SCHEMBL3434743 1.00 AMY1A (0.47) AMY1ASENP1GRIN1GRIN2BMEN1
SCHEMBL3431221 1.00 AMY1A (0.47) AMY1ASENP1GRIN1GRIN2BMEN1
SCHEMBL3432575 0.93 GRIN1 (0.47) AMY1ASENP1GRIN1GRIN2BMEN1
SCHEMBL4345972 0.93 GRIN1 (0.47) AMY1ASENP1GRIN1GRIN2BMEN1
SCHEMBL3430567 0.89 SENP1 (0.53) AMY1ASENP1GRIN1GRIN2BMEN1
SCHEMBL3430570 0.89 SENP1 (0.53) AMY1ASENP1GRIN1GRIN2BMEN1
SCHEMBL13616369 0.87 NPC1 (0.51) AMY1ASENP1GRIN1GRIN2BMEN1
SCHEMBL13616359 0.87 NPC1 (0.53) AMY1ASENP1GRIN1GRIN2BMEN1
SCHEMBL4345132 0.86 NPC1 (0.47) AMY1ASENP1GRIN1GRIN2BMEN1

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 4 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
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

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 AMY1A 3049/4885SENP1 4049/4885GRIN1 944/4885

“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.