SCHEMBL17770422

SCHEMBL17770422

COC(=O)c1ccc2c(n1)N(C(=O)Nc1ncccn1)[C@H]1CCN2C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 7/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ MALT1 Q9UDY8 3/20 0.34
▸ RBP4 P02753 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17777041 0.89 MEN1 (0.39) KDM4E
SCHEMBL17770157 0.89 FAAH (0.36) KDM4EMALT1RBP4
SCHEMBL17770196 0.85 HSD11B1 (0.38) RBP4
SCHEMBL17770320 0.85 RAB9A (0.38) MALT1
SCHEMBL22239612 0.85 KDM4E (0.37) KDM4EHRH3
SCHEMBL17770236 0.85 KDM4E (0.37) KDM4EHRH3
SCHEMBL17770256 0.85 HTR2C (0.42) KDM4ETSHR
SCHEMBL17777072 0.85 HTR2C (0.42) KDM4ETSHR
SCHEMBL17769611 0.84 GRM5 (0.38) —
SCHEMBL17770362 0.84 LRRK2 (0.38) OPRK1HRH3

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
EP-3221317-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 OPRK1 3944/4885KDM4E 1291/4885HRH3 3117/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 OPRK1 3944/4885KDM4E 1291/4885HRH3 3117/4885

“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.

Send feedback