SCHEMBL17769289

SCHEMBL17769289

COC(=O)c1ccc2c(n1)N(C(=O)Nc1cc(Br)ccn1)[C@H]1CCCN2C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 16/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL17770220 0.95 OPRK1 (0.39) OPRK1GSK3BCDK5DYRK1ACDK5R1
SCHEMBL17776945 0.95 OPRK1 (0.39) OPRK1GSK3BCDK5DYRK1ACDK5R1
SCHEMBL17769418 0.90 CHEK1 (0.37) CHEK1GSK3BCDK5DYRK1ACDK5R1
SCHEMBL17769611 0.87 GRM5 (0.38) MEN1KMT2A
SCHEMBL17776946 0.86 NTRK1 (0.34) OPRK1CHEK1GSK3BCDK5DYRK1A
SCHEMBL22239707 0.85 CNR2 (0.35) OPRK1CHEK1GSK3BCDK5DYRK1A
SCHEMBL17776993 0.85 KDM4E (0.36) OPRK1CHEK1GSK3BCDK5DYRK1A
SCHEMBL17770426 0.85 KDM4E (0.36) OPRK1CHEK1GSK3BCDK5DYRK1A
SCHEMBL17769366 0.84 CNR2 (0.33) CHEK1GSK3BCDK5DYRK1ACDK5R1
SCHEMBL17769368 0.84 CNR2 (0.33) CHEK1GSK3BCDK5DYRK1ACDK5R1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
EP-3221322-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 OPRK1 3944/4885CHEK1 915/4885GSK3B 2340/4885

“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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