SCHEMBL3431124

SCHEMBL3431124

O=C1N=C(N2CCN(CCO)CC2)S/C1=C\c1ccc(F)cc1O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.60
GRIN2B Q13224 5/20 0.60
ACKR3 P25106 1/20 0.57
CCR5 P51681 1/20 0.57
SENP1 Q9P0U3 1/20 0.53
AMY1A P0DUB6 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ENPP2 Q13822 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DCTPP1 Q9H773 1/20 0.43

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
SCHEMBL3431127 1.00 GRIN1 (0.60) GRIN1GRIN2BACKR3CCR5SENP1
SCHEMBL13616320 0.92 ACKR3 (0.57) GRIN1GRIN2BACKR3CCR5SENP1
SCHEMBL13615963 0.90 GRIN1 (0.73) GRIN1GRIN2BACKR3CCR5SENP1
SCHEMBL13629859 0.87 SENP1 (0.56) GRIN1GRIN2BSENP1AMY1ANPC1
SCHEMBL3427925 0.86 RAB9A (0.62) GRIN1GRIN2BSENP1AMY1ANPC1
SCHEMBL3427921 0.86 RAB9A (0.62) GRIN1GRIN2BSENP1AMY1ANPC1
SCHEMBL3428872 0.85 NPC1 (0.64) GRIN1GRIN2BSENP1AMY1ANPC1
SCHEMBL3428869 0.85 NPC1 (0.64) GRIN1GRIN2BSENP1AMY1ANPC1
SCHEMBL3428497 0.84 GRIN1 (0.45) GRIN1GRIN2BACKR3CCR5SENP1
SCHEMBL3428502 0.84 GRIN1 (0.45) GRIN1GRIN2BACKR3CCR5SENP1

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 826/4885ACKR3 144/4885

“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.