SCHEMBL4626

SCHEMBL4626

CNC(=O)C1CC[N]CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
BCHE P06276 1/20 0.33
HTT P42858 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL2916436 0.86
SCHEMBL5909567 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL103880 0.82
Hydrochloric Acid SCHEMBL30714958 0.79
SCHEMBL104253 0.77
SCHEMBL761340 0.77
SCHEMBL24618011 0.75 HDAC8 (0.61) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL4622021 0.75
SCHEMBL13060381 0.75 HDAC8 (0.61) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6917808 0.75 HDAC8 (0.61) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499129-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-07-30 EP claimed
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-10 US claimed
EP-2499129-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP claimed
WO-2011058108-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO claimed
WO-2011058109-A1 FUSED BICYCLIC PYRROLE AND IMIDAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO claimed
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-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-20200308109-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-01 US disclosed
US-20190177271-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2019-06-13 US disclosed
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 US disclosed
US-20180273525-A1 Fused Pyridine Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-09-27 US disclosed
EP-3356365-A1 FUSED PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2018-08-08 EP disclosed
EP-3356367-A1 FUSED PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2018-08-08 EP disclosed
EP-1660458-A1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS Novartis AG (CH) 2006-05-31 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed
WO-2005016894-A1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2005-02-24 WO disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 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 (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-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CHRNB2 98/4885CHRNA4 233/4885CHRNA7 246/4885
US-20190177271-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC CHRNB2 4343/4885CHRNA4 4539/4885CHRNA7 3688/4885
US-20180273525-A1 Fused Pyridine Derivatives As Kinase Inhibitors PI4KA, PI4KB, PI4K2B CHRNB2 4035/4885CHRNA4 2801/4885CHRNA7 3674/4885
US-20200308109-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC CHRNB2 4343/4885CHRNA4 4539/4885CHRNA7 3688/4885
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB CHRNB2 4495/4885CHRNA4 3864/4885CHRNA7 4326/4885
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors PDXK, MAP2K2, PDPK1 CHRNB2 1115/4885CHRNA4 1101/4885CHRNA7 829/4885

“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.