Sugi Predict

Sugi Predict / Compounds / SCHEMBL262129

SCHEMBL262129

SCHEMBL262129

CCCOc1ccc(C)nc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 4/20 0.52
▸ HCRTR2 O43614 4/20 0.52
▸ S1PR4 O95977 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA9 Q16790 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL263251 0.87 HCRTR2 (0.50) HCRTR1HCRTR2S1PR4KDM4EGAA
SCHEMBL2487526 0.79 XDH (0.45) S1PR4
SCHEMBL2488826 0.78 XDH (0.46) HCRTR1HCRTR2S1PR4CNR2
SCHEMBL15058040 0.78 MAPT (0.49) TDP1CA9MAPT
SCHEMBL30369233 0.78 MAPT (0.49) TDP1CA9MAPT
SCHEMBL3389616 0.78 KDM4E (0.53) S1PR4KDM4EGAATDP1CA9
SCHEMBL28518207 0.76 KDM4E (0.45) KDM4ETDP1CA9MAPTCNR1
SCHEMBL13947096 0.75 S1PR4 (0.58) HCRTR1HCRTR2S1PR4KDM4EGAA
SCHEMBL286897 0.75 PTPN1 (0.50) HCRTR1HCRTR2KDM4EGAAMAPT
SCHEMBL15058180 0.75 MEN1 (0.56) PPARGMAPTCNR1CNR2KMT2A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586962-B2 Disubstituted octahydropyrrolo [3,4-C] pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-03-07 — — US disclosed
US-20140171430-A1 DISUBSTITUTED OCTAHYDROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-19 — — US disclosed
WO-2012145581-A1 DISUBSTITUTED OCTAHY-DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-26 — — WO disclosed
US-8133908-B2 Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine GLAXO GROUP LIMITED (GB) 2012-03-13 — — US disclosed
US-8133908-B2 Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine GLAXO GROUP LIMITED (GB) 2012-03-13 — — US disclosed
US-8133908-B2 Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine GLAXO GROUP LIMITED (GB) 2012-03-13 — — US disclosed
EP-2421850-A1 3 -AZABICYCLO [4.1.0]HEPTANES USED AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2012-02-29 — — EP disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 — — US disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 — — WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 — — WO disclosed
US-20100168131-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-07-01 — — US disclosed
WO-2010063662-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0] HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 — — WO disclosed
WO-2010063662-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0] HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 — — WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 — — US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 — — US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 — — US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 — — WO disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 — — 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 (4 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-20100168131-A1 NOVEL COMPOUNDS HTR3B, HNMT, TPMT HCRTR1 3105/4885HCRTR2 2178/4885S1PR4 939/4885
US-20140171430-A1 DISUBSTITUTED OCTAHYDROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885S1PR4 107/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B HCRTR1 2016/4885HCRTR2 1425/4885S1PR4 829/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885S1PR4 278/4885

“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.