SCHEMBL13616098

SCHEMBL13616098

CP(C)(=O)CN1CCCCN1C1=NC(=O)/C(=C/c2cc(F)ccc2OC(=O)N2CCC(N3CCCC3)CC2)S1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.38
▸ KMT2A Q03164 8/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ POLB P06746 1/20 0.36
▸ PSEN1 P49768 3/20 0.34
▸ PSEN2 P49810 3/20 0.34
▸ APH1B Q8WW43 3/20 0.34
▸ NCSTN Q92542 3/20 0.34
▸ APH1A Q96BI3 3/20 0.34
▸ PSENEN Q9NZ42 3/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ APP P05067 1/20 0.33
▸ GFER P55789 1/20 0.33

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
SCHEMBL13616105 0.99 NPC1 (0.38) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL13616090 0.95 MEN1 (0.38) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL13616104 0.94 NPC1 (0.38) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL13616095 0.93 NPC1 (0.41) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13616084 0.92 NPC1 (0.42) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13616100 0.89 NPC1 (0.37) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13616078 0.89 MEN1 (0.37) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL13616077 0.88 MEN1 (0.39) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL13616096 0.87 NPC1 (0.40) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13616083 0.86 NPC1 (0.42) MEN1KMT2ANPC1POLBRAB9A

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 1 patent. 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

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 MEN1 4697/4885KMT2A 1752/4885KDM4E 1524/4885

“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.

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