SCHEMBL13629862

SCHEMBL13629862

CCN1CCN(C2=NC(=O)/C(=C/c3cc(F)ccc3O)S2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.58
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
AMY1A P0DUB6 1/20 0.56
SENP1 Q9P0U3 1/20 0.53
GRIN1 Q05586 5/20 0.53
GRIN2B Q13224 5/20 0.53
NPC1 O15118 3/20 0.47
RAB9A P51151 1/20 0.47
ACKR3 P25106 1/20 0.46
CCR5 P51681 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL13616320 0.89 ACKR3 (0.57) ENPP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL4343583 0.88 AMY1A (0.59) ENPP2MEN1KMT2AALDH1A1MAPT
SCHEMBL13629855 0.88 AMY1A (0.59) ENPP2MEN1KMT2AALDH1A1MAPT
SCHEMBL4343587 0.88 AMY1A (0.59) ENPP2MEN1KMT2AALDH1A1MAPT
SCHEMBL13616304 0.87 NPC1 (0.59) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL3426768 0.87 NPC1 (0.62) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL3426774 0.87 NPC1 (0.62) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL13630087 0.87 NPC1 (0.62) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL4344022 0.86 NPC1 (0.64) MEN1KMT2AALDH1A1MAPTAMY1A
SCHEMBL3426995 0.86 NPC1 (0.64) MEN1KMT2AALDH1A1MAPTAMY1A

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 ENPP2 790/4885MEN1 4697/4885KMT2A 1752/4885

“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.