SCHEMBL112919

SCHEMBL112919

Cc1cccc(CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
KDM4A O75164 1/20 0.48
MEN1 O00255 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA2A P29274 3/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NAMPT P43490 1/20 0.42
GLS O94925 1/20 0.42
BCHE P06276 1/20 0.41
NQO2 P16083 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 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
SCHEMBL21744199 0.86 MAOA (0.47) CA12CA1CA2CA9BCHE
SCHEMBL26616825 0.85 NPSR1 (0.49) NPSR1KDM4ACA12CA1CA2
SCHEMBL28520175 0.85 ADORA2A (0.47) NPSR1KDM4AADORA2ACA12CA1
SCHEMBL26697003 0.84 NPSR1 (0.47) NPSR1KDM4ACA12CA1CA2
SCHEMBL29510880 0.84 NPSR1 (0.47) NPSR1KDM4AADORA2ACA12CA1
SCHEMBL13940974 0.84 NPSR1 (0.51) NPSR1KDM4ACA12CA1CA2
SCHEMBL1629274 0.84 NPSR1 (0.47) NPSR1KDM4ACA12CA1CA2
SCHEMBL1244570 0.83 NPSR1 (0.46) NPSR1KDM4AMEN1KMT2ANPC1
SCHEMBL17922691 0.82 ADORA2A (0.48) NPSR1KDM4AADORA2ANPC1RAB9A
SCHEMBL3980110 0.82 GRM2 (0.46) NPSR1KDM4AADORA2ACA12CA1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
US-7939548-B2 Aminopyridines, e.g.,N-{[6-(aminomethyl)(2-pyridyl)]methyl}(2-{[2-(3-fluorophenyl)ethyl]amino}-5-(3-pyridyl)(3-pyridyl))carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
EP-2811997-B1 SUBSTITUTED PROLINES/PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS INC (US) 2018-04-11 EP disclosed
US-9896452-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2018-02-20 US disclosed
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. 2017-04-13 US disclosed
US-9499517-B2 Substituted prolines / piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-11-22 US disclosed
US-9440982-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
WO-2015123355-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. (US) 2015-08-20 WO disclosed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 US disclosed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 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 (7 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-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A NPSR1 25/4885KDM4A 4510/4885MEN1 3388/4885
US-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 NPSR1 3654/4885KDM4A 1894/4885MEN1 510/4885
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 NPSR1 14/4885KDM4A 1049/4885MEN1 885/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A NPSR1 25/4885KDM4A 4510/4885MEN1 3388/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 NPSR1 3654/4885KDM4A 1894/4885MEN1 510/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 NPSR1 3654/4885KDM4A 1894/4885MEN1 510/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A NPSR1 25/4885KDM4A 4493/4885MEN1 3285/4885

“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.