SCHEMBL19670180

SCHEMBL19670180

CCN1CCCNc2nc(N3CCCN(CC(F)(F)F)CC3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.34
▸ HPGDS O60760 3/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ CASP5 P51878 2/20 0.32
▸ CASP4 P49662 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ HRH4 Q9H3N8 2/20 0.31
▸ IRAK4 Q9NWZ3 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
SCHEMBL20632972 0.87 KMT2A (0.35) HRH3HPGDSKMT2ACASP1CASP5
SCHEMBL19670142 0.76 MAP4K4 (0.42) —
SCHEMBL20733270 0.72 PDE10A (0.33) KMT2AKDM4E
SCHEMBL19865063 0.72 HPGDS (0.36) HPGDSCASP1CASP5CASP4DRD2
SCHEMBL16238209 0.72 HPGDS (0.37) HRH3HPGDSCASP1CASP5CASP4
SCHEMBL16775802 0.69 SMN1; SMN2 (0.36) KMT2AKDM4E
SCHEMBL20733299 0.69 EGLN2 (0.39) HRH3KDM4E
SCHEMBL19705991 0.65 MAP4K4 (0.39) KDM4E
SCHEMBL1841385 0.65 KCNH2 (0.39) KMT2A
SCHEMBL19706033 0.65 TNF (0.41) —

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 HRH3 2288/4885HPGDS 1358/4885KMT2A 1438/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HRH3 2288/4885HPGDS 1358/4885KMT2A 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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