SCHEMBL4345140

SCHEMBL4345140

O=C1N=C(N2CC[C@H](N3CCCC3)C2)SC1=Cc1ccc(F)cc1O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
SENP1 Q9P0U3 1/20 0.45
AMY1A P0DUB6 1/20 0.43
GFER P55789 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL4345132 1.00 NPC1 (0.47) NPC1RAB9AMEN1KMT2AGRIN1
SCHEMBL3428994 1.00 NPC1 (0.47) NPC1RAB9AMEN1KMT2AGRIN1
SCHEMBL3428991 1.00 NPC1 (0.47) NPC1RAB9AMEN1KMT2AGRIN1
SCHEMBL13616368 0.94 NPC1 (0.51) NPC1RAB9AMEN1KMT2AGRIN1
SCHEMBL4345972 0.93 GRIN1 (0.47) NPC1RAB9AMEN1KMT2AGRIN1
SCHEMBL3432575 0.93 GRIN1 (0.47) NPC1RAB9AMEN1KMT2AGRIN1
SCHEMBL13616369 0.86 NPC1 (0.51) NPC1RAB9AMEN1KMT2AGRIN1
SCHEMBL3433228 0.86 SENP1 (0.53) NPC1RAB9AMEN1KMT2AGRIN1
SCHEMBL3433230 0.86 SENP1 (0.53) NPC1RAB9AMEN1KMT2AGRIN1
SCHEMBL3434743 0.86 AMY1A (0.47) NPC1RAB9AMEN1KMT2AGRIN1

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 NPC1 2712/4885RAB9A 4212/4885MEN1 4697/4885

“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.