SCHEMBL1406503

SCHEMBL1406503

[CH2]CN1CCCC1COC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
ARG1 P05089 2/20 0.39
ARG2 P78540 2/20 0.39
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
PNP P00491 1/20 0.37
HRH3 Q9Y5N1 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
KCNH2 Q12809 1/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
CRHR1 P34998 1/20 0.33
TRPV6 Q9H1D0 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
SCHEMBL771402 1.00 HDAC8 (0.43) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL772187 1.00 HDAC8 (0.43) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL772359 0.94 HDAC8 (0.40) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL6409367 0.82 HDAC8 (0.44) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL8391210 0.82 HDAC8 (0.44) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL4749550 0.82 HDAC8 (0.44) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL607784 0.82 HDAC8 (0.44) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL15811824 0.82 HDAC8 (0.44) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL8391212 0.82 HDAC8 (0.44) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL26507420 0.80 HDAC8 (0.43) HDAC8HDAC6HDAC1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759335-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 US claimed
EP-1838712-B8 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-10-12 EP claimed
CN-1938279-B Modulators of atp-binding cassette transporters VERTEX PHARMA CO LTD 2011-09-14 CN claimed
EP-1838712-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-03-09 EP claimed
US-20080176899-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 US claimed
US-20080108613-A1 Pyrazolopyrimidine Compounds as Antitumor Agents ASTRAZENECA AB (SE) 2008-05-08 US claimed
EP-1838712-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2007-10-03 EP claimed
CN-1938279-A Modulators of atp-binding cassette transporters VERTEX PHARMA (US) 2007-03-28 CN claimed
WO-2006064196-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20060052358-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-03-09 US claimed
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 US claimed
EP-3219709-A1 INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-20 EP disclosed
EP-1716122-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-04-19 EP disclosed
US-9550761-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-01-24 US disclosed
US-8759335-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP 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 (4 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-20080176899-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCC2 HDAC8 2316/4885HDAC6 1395/4885HDAC1 2659/4885
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1B, ADRB2 HDAC8 2967/4885HDAC6 2688/4885HDAC1 1172/4885
US-20060052358-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders CFTR, ABCC2, ABCC4 HDAC8 1726/4885HDAC6 1193/4885HDAC1 2448/4885
US-20080108613-A1 Pyrazolopyrimidine Compounds as Antitumor Agents ERBB2, ERBB3, ERBB4 HDAC8 2652/4885HDAC6 1335/4885HDAC1 1413/4885

“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.