SCHEMBL2473885

SCHEMBL2473885

COC(=O)c1nc(C)ccc1-c1cc(C)no1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HCRTR2 O43614 3/20 0.43
HCRTR1 O43613 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPK1 P28482 2/20 0.41
S1PR4 O95977 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
NOTUM Q6P988 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRD4 O60885 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
Lithium Ion SCHEMBL2487357 0.84 KDM4E (0.48) KDM4EUSP2ALDH1A1TSHRHCRTR2
SCHEMBL9955618 0.84 ALDH1A1 (0.57) KDM4EUSP2ALDH1A1TSHRHCRTR2
SCHEMBL2487359 0.82 ALDH1A1 (0.56) KDM4EUSP2ALDH1A1TSHRHCRTR2
SCHEMBL2493758 0.74 MAOA (0.42) KDM4EALDH1A1TSHRS1PR4NPC1
SCHEMBL10262356 0.73 KDM4E (0.46) KDM4EUSP2ALDH1A1TSHRKMT2A
SCHEMBL15058045 0.73 ALDH1A1 (0.49) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL30775080 0.72 L3MBTL1 (0.49) HCRTR2HCRTR1S1PR4NPSR1
SCHEMBL607604 0.72 L3MBTL1 (0.49) HCRTR2HCRTR1S1PR4NPSR1
SCHEMBL5321253 0.72 MEN1 (0.62) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL16030471 0.71 CFTR (0.45) KDM4EALDH1A1HCRTR2HCRTR1S1PR4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US 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
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
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
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 (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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 KDM4E 1459/4885USP2 3775/4885ALDH1A1 1507/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B KDM4E 1224/4885USP2 4322/4885ALDH1A1 882/4885

“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.