SCHEMBL13629855

SCHEMBL13629855

CN1CCN(C2=NC(=O)/C(=C\c3cc(F)ccc3O)S2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.59
SENP1 Q9P0U3 1/20 0.56
ENPP2 Q13822 1/20 0.55
GRIN1 Q05586 3/20 0.54
GRIN2B Q13224 3/20 0.54
MCHR1 Q99705 1/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
POLB P06746 1/20 0.46
DCTPP1 Q9H773 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4343587 1.00 AMY1A (0.59) AMY1ASENP1ENPP2GRIN1GRIN2B
SCHEMBL4343583 1.00 AMY1A (0.59) AMY1ASENP1ENPP2GRIN1GRIN2B
SCHEMBL13629859 0.91 SENP1 (0.56) AMY1ASENP1ENPP2GRIN1GRIN2B
SCHEMBL3426774 0.90 NPC1 (0.62) AMY1ASENP1GRIN1GRIN2BNPC1
SCHEMBL13616304 0.90 NPC1 (0.59) AMY1ASENP1GRIN1GRIN2BNPC1
SCHEMBL3426768 0.90 NPC1 (0.62) AMY1ASENP1GRIN1GRIN2BNPC1
SCHEMBL13630087 0.90 NPC1 (0.62) AMY1ASENP1GRIN1GRIN2BNPC1
SCHEMBL4344022 0.89 NPC1 (0.64) AMY1ASENP1GRIN1GRIN2BNPC1
SCHEMBL3426995 0.89 NPC1 (0.64) AMY1ASENP1GRIN1GRIN2BNPC1
SCHEMBL13629862 0.88 ENPP2 (0.58) AMY1ASENP1ENPP2GRIN1GRIN2B

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 AMY1A 3049/4885SENP1 4049/4885ENPP2 790/4885

“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.