SCHEMBL17618584

SCHEMBL17618584

N#Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN3C2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ AR P10275 1/20 0.38
▸ FAAH O00519 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ GPR6 P46095 1/20 0.34
▸ RET P07949 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34

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
SCHEMBL17618644 0.90 HRH3 (0.39) CHRM4MALT1HRH3FAAHKCNH2
SCHEMBL17618565 0.89 MALT1 (0.43) MALT1FAAHGSK3BDYRK1AMAP3K5
SCHEMBL17618444 0.86 USP30 (0.42) LRRK2PDE4BPDE4D
SCHEMBL19670316 0.86 GRM4 (0.39) CHRM4MALT1HRH3GRM4AR
SCHEMBL19365467 0.86 GRM4 (0.39) CHRM4MALT1HRH3GRM4AR
SCHEMBL16776521 0.85 CHRM4 (0.38) CHRM4FAAHGSK3BDYRK1APDE4B
SCHEMBL17618388 0.85 VCP (0.43) CHRM4FAAHPDE4BPDE4DTRPV1
SCHEMBL17618594 0.85 FAAH (0.43) CHRM4FAAHGSK3BDYRK1APDE4B
SCHEMBL17618577 0.84 RAB9A (0.40) FAAHGSK3BDYRK1ATRPV1
SCHEMBL19361197 0.84 FAAH (0.43) FAAHTRPV1VCP

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 CHRM4 4629/4885MALT1 4571/4885HRH3 2667/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CHRM4 4421/4885MALT1 4474/4885HRH3 2288/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CHRM4 4421/4885MALT1 4474/4885HRH3 2288/4885

“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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