SCHEMBL13616100

SCHEMBL13616100

CCN(CC)C1CCN(C(=O)Oc2ccc(F)cc2/C=C2\SC(N3CCCCN3CP(C)(C)=O)=NC2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.37
▸ MEN1 O00255 9/20 0.35
▸ KMT2A Q03164 9/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CBX7 O95931 1/20 0.34
▸ CDYL2 Q8N8U2 1/20 0.34
▸ CDYL Q9Y232 1/20 0.34
▸ CDY1; CDY1B Q9Y6F8 1/20 0.34
▸ RAB9A P51151 2/20 0.32
▸ GFER P55789 1/20 0.32

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
SCHEMBL13616106 0.95 MEN1 (0.38) NPC1MEN1KMT2AACKR3POLB
SCHEMBL13616095 0.91 NPC1 (0.41) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616080 0.90 NPC1 (0.38) NPC1MEN1KMT2AACKR3POLB
SCHEMBL13616084 0.90 NPC1 (0.42) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616098 0.89 MEN1 (0.38) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13747010 0.89 NPC1 (0.38) NPC1MEN1KMT2AACKR3POLB
SCHEMBL13616105 0.89 NPC1 (0.38) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616089 0.85 NPC1 (0.41) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616079 0.85 MEN1 (0.39) NPC1MEN1KMT2AACKR3POLB
SCHEMBL13616096 0.85 NPC1 (0.40) NPC1MEN1KMT2APOLBRAB9A

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 NPC1 2712/4885MEN1 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.

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