SCHEMBL19365231

SCHEMBL19365231

CCN1CCCN(C(=O)Nc2cncc(OCC(O)CO)n2)c2nc(-c3cccc(Cl)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.37
▸ BRAF P15056 1/20 0.32
▸ AVPR1B P47901 4/20 0.32
▸ CNR2 P34972 2/20 0.31
▸ CXCR3 P49682 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ DYRK3 O43781 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ DYRK2 Q92630 1/20 0.30
▸ DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL18415692 0.92 GRM5 (0.36) GRM5AVPR1BCNR2CXCR3MEN1
SCHEMBL19865037 0.92 GRM5 (0.36) GRM5BRAFAVPR1BCNR2MEN1
SCHEMBL19670122 0.87 GRM5 (0.34) GRM5BRAFKMT2ARAF1
SCHEMBL12654230 0.84 GRM5 (0.36) GRM5BRAFAVPR1BCNR2MEN1
SCHEMBL19706090 0.82 GPR52 (0.35) BRAFMAPTRAF1
SCHEMBL12654526 0.80 MPL (0.42) GRM5AVPR1BCNR2
SCHEMBL12654669 0.80 CNR2 (0.50) GRM5CNR2KMT2A
SCHEMBL12654415 0.80 GRM5 (0.34) GRM5AVPR1BCNR2MEN1MAPT
SCHEMBL12654432 0.79 FGFR4 (0.43) GRM5CNR2MEN1MAPTKMT2A
SCHEMBL16238670 0.79 GRM5 (0.34) GRM5RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 3471/4885BRAF 3419/4885AVPR1B 3357/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GRM5 3471/4885BRAF 3419/4885AVPR1B 3357/4885

“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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