SCHEMBL16776289

SCHEMBL16776289

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccncn2)C2CCN3CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HCRTR1 O43613 3/20 0.35
▸ HCRTR2 O43614 3/20 0.35
▸ OPRK1 P41145 3/20 0.35
▸ PRMT5 O14744 2/20 0.35
▸ WDR77 Q9BQA1 2/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ ATR Q13535 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ AR P10275 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
SCHEMBL17618730 0.90 LRRK2 (0.36) FAAHHCRTR1HCRTR2OPRK1PRMT5
SCHEMBL16776288 0.90 CHRM4 (0.39) FAAHGSK3BDYRK1ACHRM4
SCHEMBL17618760 0.90 FAAH (0.35) FAAHHCRTR2GSK3BCHRM4ATR
SCHEMBL16776272 0.90 PRMT5 (0.42) FAAHHDAC8HCRTR1HCRTR2PRMT5
SCHEMBL20633316 0.90 OPRK1 (0.35) FAAHHDAC8HCRTR1HCRTR2OPRK1
SCHEMBL16776262 0.90 FAAH (0.39) FAAHHCRTR1HCRTR2CHRNB2CHRNB4
SCHEMBL16776273 0.89 FAAH (0.36) FAAHHDAC8HCRTR1HCRTR2PRMT5
SCHEMBL16776274 0.87 FAAH (0.40) FAAHHDAC8HCRTR1HCRTR2GSK3B
SCHEMBL17618562 0.85 PRMT5 (0.39) FAAHPRMT5WDR77GSK3BDYRK1A
SCHEMBL17618526 0.85 FAAH (0.35) FAAHGSK3BCHRM4ATRCHRNB2

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 FAAH 977/4885HDAC8 110/4885HCRTR1 2303/4885

“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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