SCHEMBL13629859

SCHEMBL13629859

CN1CCN(C2=NC(=O)/C(=C\c3ccc(F)cc3O)S2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.56
AMY1A P0DUB6 1/20 0.56
GRIN1 Q05586 2/20 0.56
GRIN2B Q13224 2/20 0.56
ENPP2 Q13822 1/20 0.55
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 0.47
POLB P06746 1/20 0.46
DCTPP1 Q9H773 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 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 0.91 AMY1A (0.59) SENP1AMY1AGRIN1GRIN2BENPP2
SCHEMBL4343583 0.91 AMY1A (0.59) SENP1AMY1AGRIN1GRIN2BENPP2
SCHEMBL13629855 0.91 AMY1A (0.59) SENP1AMY1AGRIN1GRIN2BENPP2
SCHEMBL3427925 0.90 RAB9A (0.62) SENP1AMY1AGRIN1GRIN2BNPC1
SCHEMBL3427921 0.90 RAB9A (0.62) SENP1AMY1AGRIN1GRIN2BNPC1
SCHEMBL3428872 0.89 NPC1 (0.64) SENP1AMY1AGRIN1GRIN2BNPC1
SCHEMBL3428869 0.89 NPC1 (0.64) SENP1AMY1AGRIN1GRIN2BNPC1
SCHEMBL3431124 0.87 GRIN1 (0.60) SENP1AMY1AGRIN1GRIN2BENPP2
SCHEMBL3431127 0.87 GRIN1 (0.60) SENP1AMY1AGRIN1GRIN2BENPP2
SCHEMBL3433230 0.86 SENP1 (0.53) SENP1AMY1AGRIN1GRIN2BENPP2

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 SENP1 4049/4885AMY1A 3049/4885GRIN1 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.