Sugi Predict

Sugi Predict / Compounds / SCHEMBL2497920

SCHEMBL2497920

SCHEMBL2497920

Cc1ccc(-n2ccc(C)n2)c(C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ NPC1 O15118 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41
▸ TDO2 P48775 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ CYP46A1 Q9Y6A2 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL2495056 0.83 KDM4E (0.45) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL31175345 0.78 HCRTR2 (0.45) MAPTKDM4EALDH1A1GAAHCRTR1
SCHEMBL2496223 0.78 LMNA (0.38) MAPTKDM4EGAAHCRTR1HCRTR2
SCHEMBL18588653 0.78 HCRTR1 (0.56) HCRTR1HCRTR2CYP2C9CYP2C19
SCHEMBL262384 0.78 HCRTR2 (0.45) MAPTKDM4EALDH1A1GAAHCRTR1
SCHEMBL12475748 0.77 HCRTR1 (0.55) HCRTR1HCRTR2CYP2C9CYP2C19
SCHEMBL12475754 0.77 HCRTR1 (0.55) HCRTR1HCRTR2CYP2C9CYP2C19
SCHEMBL2492982 0.77 KDM4E (0.54) MAPTKDM4EALDH1A1SMN1; SMN2HCRTR1
SCHEMBL20774394 0.76 HCRTR1 (0.44) KDM4EHCRTR1HCRTR2KMT2AMEN1
SCHEMBL10267996 0.75 RAB9A (0.53) RAB9AMAPTKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695183-B2 Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 — — US disclosed
US-9695183-B2 Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 — — US disclosed
US-9695183-B2 Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 — — US disclosed
US-9637496-B2 Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-05-02 — — US disclosed
US-9637496-B2 Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-05-02 — — US disclosed
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 — — EP disclosed
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 — — EP disclosed
US-20160376280-A1 Substituted 7-Azabicycles And Their Use As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2016-12-29 — — US disclosed
US-20160376280-A1 Substituted 7-Azabicycles And Their Use As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2016-12-29 — — US disclosed
US-9475819-B2 Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-10-25 — — US disclosed
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 — — US disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 — — WO disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 — — WO disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 — — WO disclosed
EP-2370426-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) 2011-10-05 — — EP 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
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

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-20160376280-A1 Substituted 7-Azabicycles And Their Use As Orexin Receptor Modulators HCRTR2, HCRTR1, NPY5R RAB9A 2062/4885MAPT 4017/4885KDM4E 1287/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B RAB9A 308/4885MAPT 2636/4885KDM4E 1224/4885
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R RAB9A 1956/4885MAPT 4033/4885KDM4E 1549/4885

“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.