SCHEMBL17618668

SCHEMBL17618668

N#Cc1ccccc1-c1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H]1CCCN2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.36
▸ AR P10275 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ CCNB3 Q8WWL7 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
SCHEMBL17618672 0.91 PIM2 (0.38) LRRK2UCHL1DPP4PIM2PIM3
SCHEMBL17618667 0.91 PIM2 (0.37) CHRM4ARLRRK2UCHL1DPP4
SCHEMBL17618651 0.90 FAAH (0.37) LRRK2UCHL1DPP4PIM2PIM3
SCHEMBL17618660 0.85 HTR2C (0.43) CHRM4ARPIM2PIM3PIM1
SCHEMBL17618514 0.85 USP30 (0.45) LRRK2
SCHEMBL19365376 0.85 USP30 (0.45) LRRK2
SCHEMBL17618586 0.85 USP30 (0.45) LRRK2
SCHEMBL17618662 0.84 FAAH (0.39) LRRK2DPP4PIM2KDM4EABL1
SCHEMBL17618752 0.83 GSK3B (0.39) CHRM4PIM2PIM3DGAT2ROCK2
SCHEMBL17618710 0.83 PIM2 (0.40) GRM5PTGS1PTGS2PIM2PIM3

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 4629/4885AR 3803/4885GRM5 4062/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CHRM4 4421/4885AR 3677/4885GRM5 3471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CHRM4 4421/4885AR 3677/4885GRM5 3471/4885

“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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