SCHEMBL17618441

SCHEMBL17618441

N#Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccc(F)cn2)[C@H]2CCN3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.42
▸ HSD11B1 P28845 1/20 0.39
▸ GPR6 P46095 3/20 0.38
▸ LRRK2 Q5S007 5/20 0.38
▸ USP30 Q70CQ3 2/20 0.37
▸ SCD O00767 1/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ MCHR1 Q99705 2/20 0.36

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
SCHEMBL17618515 0.96 HDAC2 (0.42) HDAC2HSD11B1LRRK2USP30MCHR1
SCHEMBL19365427 0.96 HDAC2 (0.42) HDAC2HSD11B1LRRK2USP30MCHR1
SCHEMBL19706087 0.93 HDAC2 (0.42) HDAC2HSD11B1GPR6LRRK2USP30
SCHEMBL17618391 0.90 SCD (0.41) SCDPDE4DPDE4APDE4BPDE4C
SCHEMBL17618444 0.88 USP30 (0.42) HSD11B1LRRK2USP30PDE4DPDE4A
SCHEMBL17618376 0.88 GRM5 (0.39) LRRK2SCD
SCHEMBL17618499 0.88 GRM5 (0.39) LRRK2SCD
SCHEMBL20633151 0.87 LRRK2 (0.39) HDAC2HSD11B1LRRK2USP30
SCHEMBL17618500 0.87 LPL (0.41) SCD
SCHEMBL17618484 0.87 GRM5 (0.41) LRRK2USP30PDE4DPDE4APDE4B

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 HDAC2 72/4885HSD11B1 3741/4885GPR6 3200/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HDAC2 50/4885HSD11B1 3528/4885GPR6 2629/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HDAC2 50/4885HSD11B1 3528/4885GPR6 2629/4885

“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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