SCHEMBL17618793

SCHEMBL17618793

O=C(Nc1ccc(N2CCCCC2)cc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 1/20 0.43
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ FPR1 P21462 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ IDH2 P48735 7/20 0.40
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL17618348 0.90 IDH2 (0.45) CA2CA9IDH2LMNAHTT
SCHEMBL17618783 0.89 MEN1 (0.47) IDH2LMNAHTTTRPV1MEN1
SCHEMBL17618906 0.89 CA2 (0.42) NPY2RCA2CA9IDH2LMNA
SCHEMBL17618902 0.89 CA2 (0.42) NPY2RCA2CA9IDH2LMNA
SCHEMBL17618807 0.88 PLG (0.44) NPY2RCA2CA9FPR1FPR2
SCHEMBL17618817 0.88 CA2 (0.41) NPY2RCA2CA9IDH2LMNA
SCHEMBL16250003 0.88 CA2 (0.42) NPY2RCA2CA9IDH2MEN1
Hydrochloric Acid SCHEMBL16238420 0.87 CA2 (0.42) NPY2RCA2CA9IDH2MEN1
SCHEMBL17624591 0.87 IDH2 (0.42) CA2CA9IDH2LMNATRPV1
SCHEMBL16249947 0.87 IDH2 (0.42) CA2CA9IDH2LMNATRPV1

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 NPY2R 2272/4885CA2 4636/4885CA9 4430/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPY2R 2186/4885CA2 4253/4885CA9 4248/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NPY2R 2186/4885CA2 4253/4885CA9 4248/4885

“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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