SCHEMBL2219100

SCHEMBL2219100

Cc1cnc(C(=O)N2CCOCC2)cn1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 2/20 0.53
HRH3 Q9Y5N1 1/20 0.52
NPC1 O15118 1/20 0.49
MYC P01106 1/20 0.47
HPGD P15428 5/20 0.47
TSHR P16473 1/20 0.47
ESR2 Q92731 1/20 0.47
HTT P42858 2/20 0.46
GRM5 P41594 1/20 0.45
SPR P35270 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL10330247 0.84 HPGD (0.56) SMN1; SMN2ALDH1A1RAB9AMAPTHRH3
SCHEMBL12442637 0.83 HPGD (0.62) SMN1; SMN2ALDH1A1RAB9AMAPTHRH3
SCHEMBL29944223 0.83 HPGD (0.62) SMN1; SMN2ALDH1A1RAB9AMAPTHRH3
SCHEMBL1722269 0.82 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1RAB9AMAPTHRH3
SCHEMBL13779974 0.81 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1RAB9AMAPTHRH3
SCHEMBL7877444 0.81 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL2733860 0.80 ALDH1A1 (0.47) ALDH1A1MAPTMYCHPGD
SCHEMBL27531647 0.80 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1RAB9AMAPTHRH3
SCHEMBL18390537 0.78 HRH3 (0.62) ALDH1A1HRH3MYCHPGD
SCHEMBL14872321 0.78 RAB9A (0.50) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD

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 23 patents — showing the first 20. 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-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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 (6 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 1613/4885ALDH1A1 2465/4885RAB9A 1862/4885
US-20070079392-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR SMN1; SMN2 1613/4885ALDH1A1 2465/4885RAB9A 1862/4885
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists FFAR1, FFAR2, FFAR3 SMN1; SMN2 4460/4885ALDH1A1 1861/4885RAB9A 2083/4885
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 SMN1; SMN2 1734/4885ALDH1A1 2519/4885RAB9A 757/4885
US-20050004178-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR SMN1; SMN2 1613/4885ALDH1A1 2465/4885RAB9A 1862/4885
US-20040142377-A1 Human G protein-coupled receptors and modulators thereof for the treatment of metabolic-related disorders GPR119, ADIPOR2, GCGR SMN1; SMN2 1613/4885ALDH1A1 2465/4885RAB9A 1862/4885

“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.