SCHEMBL16776465

SCHEMBL16776465

CCc1cc(C)cc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H](C)CCN3)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ WNT1 P04628 2/20 0.35
▸ RPS6KA2 Q15349 1/20 0.33
▸ KARS1 Q15046 3/20 0.33
▸ GNRHR P30968 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ DYRK1A Q13627 3/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CLK2 P49760 2/20 0.31
▸ CLK3 P49761 2/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ FAAH O00519 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
SCHEMBL16776023 0.84 GSK3B (0.36) NPC1RAB9AWNT1KARS1DYRK1A
SCHEMBL16776240 0.83 WNT1 (0.35) NPC1RAB9AWNT1KARS1GAA
SCHEMBL16775904 0.81 GRM5 (0.42) RAB9AKMT2AKARS1FAAH
SCHEMBL16775991 0.80 THRB (0.39) KARS1
SCHEMBL16776055 0.79 KARS1 (0.49) KARS1DYRK1AGSK3BFAAH
SCHEMBL19699119 0.79 NPC1 (0.36) NPC1RAB9AKMT2AWNT1GNRHR
SCHEMBL16776050 0.79 PRMT5 (0.38) RPS6KA2DYRK1AGSK3BFAAH
SCHEMBL16776168 0.77 DYRK1A (0.38) KMT2AWNT1KARS1DYRK1AGSK3B
SCHEMBL16776046 0.77 FAAH (0.35) RPS6KA2GNRHRDYRK1AGSK3BFAAH
SCHEMBL16776107 0.76 RAB9A (0.37) NPC1RAB9AKMT2AGAADYRK1A

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPC1 3380/4885RAB9A 1471/4885KMT2A 1438/4885

“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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