Lithium

Lithium

SCHEMBL607039

Cc1ccc(-c2ncccn2)c(C(=O)O)n1.[Li]

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 18/20 0.49
HCRTR1 O43613 15/20 0.49
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MYC P01106 1/20 0.41

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
SCHEMBL264270 0.98 HCRTR2 (0.50) HCRTR2HCRTR1KDM4EALDH1A1CYP3A4
SCHEMBL30775045 0.98 HCRTR2 (0.50) HCRTR2HCRTR1KDM4EALDH1A1CYP3A4
SCHEMBL607037 0.97 HCRTR2 (0.49) HCRTR2HCRTR1KDM4EALDH1A1CYP3A4
SCHEMBL31336716 0.87 HCRTR2 (0.42) HCRTR2HCRTR1KDM4EALDH1A1CYP3A4
SCHEMBL31372446 0.87 HCRTR2 (0.41) HCRTR2HCRTR1KDM4EALDH1A1MAPT
SCHEMBL3385656 0.87 HCRTR2 (0.41) HCRTR2HCRTR1KDM4EALDH1A1MAPT
SCHEMBL19151517 0.85 HCRTR2 (0.50) HCRTR2HCRTR1
SCHEMBL2471955 0.83 HCRTR2 (0.42) HCRTR2HCRTR1KDM4EALDH1A1CYP3A4
SCHEMBL30775053 0.83 HCRTR2 (0.42) HCRTR2HCRTR1KDM4EALDH1A1CYP3A4
SCHEMBL3389125 0.83 KDM4E (0.49) HCRTR2HCRTR1KDM4EALDH1A1CYP3A4

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
WO-2012089607-A1 NOVEL COMPOUNDS WITH A 3A-AZABICYCLO [4.1.0] HEPTANE CORE ACTING ON OREXIN RECEPTORS GLAXO GROUP LIMITED (GB) 2012-07-05 WO 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
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
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO 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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 HCRTR2 1/4885HCRTR1 2/4885KDM4E 1459/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B HCRTR2 1425/4885HCRTR1 2016/4885KDM4E 1224/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR2 1/4885HCRTR1 2/4885KDM4E 1115/4885

“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.