SCHEMBL16754631

SCHEMBL16754631

O=C(NC1CCC1)c1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H]1CCN2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL17777053 1.00 GRM5 (0.42) GRM5ALDH1A1SMN1; SMN2MAPTHSD11B1
SCHEMBL19714365 0.98 ALDH1A1 (0.42) GRM5ALDH1A1SMN1; SMN2MAPTHSD11B1
SCHEMBL19714249 0.97 MAPT (0.43) GRM5ALDH1A1SMN1; SMN2MAPTHSD11B1
SCHEMBL16754448 0.96 DRD2 (0.39) GRM5ALDH1A1SMN1; SMN2MAPTHSD11B1
SCHEMBL22239709 0.96 DRD2 (0.39) GRM5ALDH1A1SMN1; SMN2MAPTHSD11B1
SCHEMBL20720999 0.93 GRM5 (0.40) GRM5ALDH1A1SMN1; SMN2MAPTHSD11B1
SCHEMBL17769702 0.93 GRM5 (0.40) GRM5ALDH1A1SMN1; SMN2MAPTHSD11B1
SCHEMBL16754328 0.92 NTRK1 (0.39) GRM5DRD2DRD4DRD3BTK
SCHEMBL19670604 0.92 NTRK1 (0.39) GRM5DRD2DRD4DRD3BTK
SCHEMBL19714016 0.91 NTRK1 (0.38) GRM5ALDH1A1SMN1; SMN2HSD11B1MEN1

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 14 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 claimed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US claimed
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
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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 3471/4885ALDH1A1 1726/4885SMN1; SMN2 2122/4885
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GRM5 3991/4885ALDH1A1 1067/4885SMN1; SMN2 1917/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 3991/4885ALDH1A1 1067/4885SMN1; SMN2 1917/4885

“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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