SCHEMBL17770481

SCHEMBL17770481

COC(=O)c1ccc2c(n1)N(C(=O)Nc1ccc(Br)cn1)[C@H]1CCN2C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 9/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 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
SCHEMBL17776916 1.00 OPRK1 (0.39) OPRK1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL22239546 0.91 OPRK1 (0.39) OPRK1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL17776915 0.91 POLB (0.39) OPRK1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL17769905 0.90 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL19736149 0.89 GRM5 (0.37) OPRK1
SCHEMBL17770258 0.89 GRM5 (0.37) OPRK1
SCHEMBL22239727 0.88 HCRTR2 (0.43) RAB9ANPC1SMN1; SMN2POLBMITF
SCHEMBL17769972 0.87 FGFR4 (0.43) —
SCHEMBL17770079 0.87 FGFR4 (0.43) —
SCHEMBL17770220 0.86 OPRK1 (0.39) OPRK1

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
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

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 3944/4885RAB9A 1227/4885NPC1 3047/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 OPRK1 3944/4885RAB9A 1227/4885NPC1 3047/4885

“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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