SCHEMBL13616106

SCHEMBL13616106

CCN(CC)C1CCN(C(=O)Oc2cc(F)ccc2/C=C2\SC(N3CCCCN3CP(C)(C)=O)=NC2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.38
▸ KMT2A Q03164 9/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ ACKR3 P25106 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
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ GFER P55789 1/20 0.32
▸ PSMD14 O00487 1/20 0.31

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
SCHEMBL13616100 0.95 NPC1 (0.37) MEN1KMT2ANPC1ACKR3CBX7
SCHEMBL13616096 0.91 NPC1 (0.40) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13616079 0.90 MEN1 (0.39) MEN1KMT2ANPC1ACKR3CBX7
SCHEMBL13616083 0.90 NPC1 (0.42) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13616090 0.90 MEN1 (0.38) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13747009 0.89 MEN1 (0.39) MEN1KMT2ANPC1ACKR3CBX7
SCHEMBL13616104 0.89 NPC1 (0.38) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13616082 0.86 NPC1 (0.41) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13616095 0.85 NPC1 (0.41) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13616080 0.85 NPC1 (0.38) MEN1KMT2ANPC1ACKR3CBX7

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 1752/4885NPC1 2712/4885

“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.

Send feedback