SCHEMBL2217005

SCHEMBL2217005

O=C(c1cnccn1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
CYP3A4 P08684 9/20 0.56
HSD17B10 Q99714 4/20 0.56
USP2 O75604 3/20 0.56
CYP2C9 P11712 3/20 0.56
CASP1 P29466 1/20 0.56
GAA P10253 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HIF1A Q16665 3/20 0.52
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 2/20 0.50
POLB P06746 1/20 0.50
RORC P51449 1/20 0.49

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
SCHEMBL8133145 0.84 CYP3A4 (0.59) CYP3A4HSD17B10USP2CYP2C9CASP1
SCHEMBL12442612 0.83 CYP3A4 (0.58) CYP3A4HSD17B10USP2CYP2C9CASP1
SCHEMBL31087166 0.83 CYP3A4 (0.58) CYP3A4HSD17B10USP2CYP2C9CASP1
SCHEMBL28254880 0.81 CYP3A4 (0.56) CYP3A4HSD17B10USP2CYP2C9CASP1
SCHEMBL4820083 0.80 CYP3A4 (0.55) CYP3A4HSD17B10USP2CYP2C9CASP1
SCHEMBL27490427 0.80 GAA (0.61) CYP3A4HSD17B10USP2CYP2C9CASP1
SCHEMBL13772554 0.80 CYP3A4 (0.63) CYP3A4HSD17B10USP2CYP2C9CASP1
SCHEMBL31158548 0.80 NPC1 (0.54) SMN1; SMN2CYP3A4CYP2C9ALDH1A1HPGD
SCHEMBL3758802 0.78 CYP3A4 (0.52) CYP3A4HSD17B10USP2CYP2C9CASP1
Ethylene SCHEMBL8381698 0.78 GAA (0.58) CYP3A4HSD17B10USP2CYP2C9CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050004178-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2005-01-06 US claimed
US-20040142377-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2004-07-22 US claimed
EP-4110766-A1 PESTICIDALLY ACTIVE DIAZINE-BISAMIDE COMPOUNDS Syngenta Crop Protection AG (CH) 2023-01-04 EP 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-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
US-20050154029-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 US disclosed
US-6902902-B2 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-20050004178-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2005-01-06 US disclosed
US-20040142377-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders ARENA PHARMACEUTICALS, INC. (US) 2004-07-22 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 (5 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-20050154029-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR SMN1; SMN2 1613/4885CYP3A4 4617/4885HSD17B10 1211/4885
US-20070079392-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR SMN1; SMN2 1613/4885CYP3A4 4617/4885HSD17B10 1211/4885
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists FFAR1, FFAR2, FFAR3 SMN1; SMN2 4460/4885CYP3A4 603/4885HSD17B10 710/4885
US-20050004178-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR SMN1; SMN2 1613/4885CYP3A4 4617/4885HSD17B10 1211/4885
US-20040142377-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR SMN1; SMN2 1613/4885CYP3A4 4617/4885HSD17B10 1211/4885

“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.