SCHEMBL17618505

SCHEMBL17618505

N#Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccnc2)[C@@H]2CCCN3C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNA1I Q9P0X4 1/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CCR2 P41597 1/20 0.39
▸ LRRK2 Q5S007 5/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ MAP4K1 Q92918 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
SCHEMBL16238326 1.00 CACNA1G (0.40) CACNA1GCACNA1HCACNA1IHTR2AHTR2C
SCHEMBL17770603 1.00 CACNA1G (0.40) CACNA1GCACNA1HCACNA1IHTR2AHTR2C
SCHEMBL17618479 0.95 THRB (0.42) CACNA1GCACNA1HCACNA1IHTR2AHTR2C
SCHEMBL19706194 0.94 THRB (0.41) CACNA1GCACNA1HCACNA1IHTR2AHTR2C
SCHEMBL20631740 0.91 LRRK2 (0.38) CNR1ALDH1A1MAPTATRTHRB
SCHEMBL17618673 0.89 PIM3 (0.47) HTR2AHTR2CALDH1A1MAPTPIM3
SCHEMBL19365378 0.89 LRRK2 (0.40) CNR1LRRK2HSD11B1USP30MAP4K1
SCHEMBL17618516 0.89 LRRK2 (0.40) CNR1LRRK2HSD11B1USP30MAP4K1
SCHEMBL17618585 0.89 LRRK2 (0.40) CNR1LRRK2HSD11B1USP30MAP4K1
SCHEMBL17618600 0.88 USP30 (0.44) CNR1THRBLRRK2HSD11B1USP30

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 CACNA1G 4434/4885CACNA1H 4353/4885CACNA1I 4642/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CACNA1G 4560/4885CACNA1H 4445/4885CACNA1I 4705/4885

“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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