SCHEMBL5081607

SCHEMBL5081607

Cc1cc(-c2nnn[nH]2)on1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL5085988 0.70 RAB9A (0.39) KDM4EALDH1A1LMNA
SCHEMBL4782762 0.70 CHRM2 (0.33)
SCHEMBL13628732 0.67 CA12 (0.36)
SCHEMBL6741105 0.64 NOTUM (0.36) CYP2C9
SCHEMBL4731436 0.63
SCHEMBL4783515 0.63 CHEK1 (0.32)
SCHEMBL4782249 0.63 GAA (0.38) KDM4EALDH1A1
SCHEMBL24823802 0.63
SCHEMBL18471228 0.63
SCHEMBL22846085 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177612-A1 Human G Protein-Coupled Receptors and Modulators Thereof for the Treatment of Metabolic-Related Disorders ARENA PHARMACEUTICALS, INC. 2011-07-21 US disclosed
US-20110177612-A1 Human G Protein-Coupled Receptors and Modulators Thereof for the Treatment of Metabolic-Related Disorders ARENA PHARMACEUTICALS, INC. 2011-07-21 US disclosed
US-7829298-B2 Human G protein-coupled receptors for metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829298-B2 Human G protein-coupled receptors for metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists ARENA PHARMACEUTICALS, INC. (US) 2008-06-12 US disclosed
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists ARENA PHARMACEUTICALS, INC. (US) 2008-06-12 US disclosed
EP-1811996-A1 COMPOSITIONS FOR TREATING FLUSHING AND LIPID-ASSOCIATED DISORDERS COMPRISING NIACIN RECEPTOR PARTIAL AGONISTS Arena Pharmaceuticals, Inc. (US) 2007-08-01 EP disclosed
US-20070079392-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
WO-2006052569-A1 COMPOSITIONS FOR TREATING FLUSHING AND LIPID-ASSOCIATED DISORDERS COMPRISING NIACIN RECEPTOR PARTIAL AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2006-05-18 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 (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-20070079392-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR KDM4E 3486/4885USP2 2480/4885ALDH1A1 2465/4885
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists FFAR1, FFAR2, FFAR3 KDM4E 3878/4885USP2 3244/4885ALDH1A1 1861/4885

“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.