SCHEMBL16776387

SCHEMBL16776387

C[C@@H]1CNc2ccc(-c3cncc(C(C)(C)C)c3)nc2N(C(=O)Nc2ccccn2)[C@@H]1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ GRM5 P41594 3/20 0.33
▸ FAAH O00519 2/20 0.33
▸ DYRK1A Q13627 2/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ TRPV1 Q8NER1 2/20 0.32
▸ ATR Q13535 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ WNT1 P04628 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ BCR P11274 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 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
SCHEMBL16776388 0.91 NPC1 (0.38) FAAHDYRK1AWNT1
SCHEMBL16776394 0.90 FAAH (0.34) FAAHTRPV1
SCHEMBL16776307 0.86 CNR2 (0.36) PTGS1PTGS2FAAHDYRK1AGSK3B
SCHEMBL16776393 0.85 AR (0.34) FAAHDYRK1AATRAR
SCHEMBL16785560 0.83 SLC5A1 (0.36) TRPV1CNR2
SCHEMBL16776389 0.83 PIK3CA (0.33) MEN1KMT2A
SCHEMBL16776397 0.81 RPS6KA3 (0.40) TRPV1MEN1KMT2AAR
SCHEMBL16776395 0.80 TRPA1 (0.33) —
SCHEMBL16776384 0.79 PRMT5 (0.39) DYRK1APRMT5WDR77AR
SCHEMBL16776383 0.79 DYRK1A (0.35) DYRK1AGSK3BWNT1ABL1PRMT5

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 PTGS1 1022/4885PTGS2 1382/4885GRM5 3471/4885

“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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