SCHEMBL17618761

SCHEMBL17618761

O=C(Nc1ccccn1)N1c2nc(-c3cncc(Cl)c3)ccc2N2CCC1CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ MDM2 Q00987 1/20 0.37
▸ GRM5 P41594 3/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GSK3B P49841 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ VCP P55072 1/20 0.35
▸ JAK2 O60674 1/20 0.35

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
SCHEMBL17618539 0.95 CNR2 (0.39) CNR2HCRTR2MDM2GRM5TRPV1
SCHEMBL17618748 0.90 MAPT (0.37) HCRTR2GRM5GSK3BMAPTFAAH
SCHEMBL17618633 0.90 GRM5 (0.39) CNR2HCRTR2MDM2GRM5GSK3B
SCHEMBL16776286 0.90 GSK3B (0.39) TRPV1GSK3BDYRK1AFAAHMEN1
SCHEMBL17618760 0.90 FAAH (0.35) HCRTR2GRM5GSK3BMAPTFAAH
SCHEMBL16776272 0.90 PRMT5 (0.42) HCRTR2GRM5TRPV1GSK3BDYRK1A
SCHEMBL17618737 0.90 CNR2 (0.52) CNR2GRM5TRPV1ALDH1A1PDE4A
SCHEMBL17618561 0.86 CNR2 (0.41) CNR2GRM5TRPV1ALDH1A1NPY2R
SCHEMBL17618551 0.85 MAPT (0.36) GRM5GSK3BMAPTFAAHMEN1
SCHEMBL17618745 0.85 HTR2A (0.45) TRPV1

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 9 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-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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 3123/4885HCRTR2 3066/4885MDM2 957/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 2514/4885HCRTR2 2516/4885MDM2 890/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR2 2514/4885HCRTR2 2516/4885MDM2 890/4885

“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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