SCHEMBL4254946

SCHEMBL4254946

CC(C)CCC(C)NC=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.56
ADH1C P00326 3/20 0.56
ADH1A P07327 3/20 0.56
ADH4 P08319 1/20 0.56
ADH7 P40394 1/20 0.56
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32

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
SCHEMBL277906 0.85 ADH1B (0.63) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8763373 0.81 ADH1B (0.71) ADH1BADH1CADH1AADH4ADH7
SCHEMBL271757 0.79
SCHEMBL2409761 0.79
SCHEMBL17300369 0.77
SCHEMBL15513617 0.77
SCHEMBL9491883 0.77
SCHEMBL271373 0.76
SCHEMBL13057369 0.75 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL269775 0.75

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
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20080319019-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP disclosed
EP-1833802-A2 1,2-DIPHENYL-IMIDAZOLE DERIVATIVES AND THEIR USE AS CB1 RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-19 EP disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 US disclosed
EP-1698620-A1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS Eisai Co., Ltd. (JP) 2006-09-06 EP disclosed
WO-2006067428-A2 1, 2-DIPHENYL-IMIDAZOLE DERIVATIVES AND THEIR USE AS CB1 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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 (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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 ADH1B 4462/4885ADH1C 989/4885ADH1A 2018/4885
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 ADH1B 1056/4885ADH1C 196/4885ADH1A 170/4885
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 ADH1B 2270/4885ADH1C 284/4885ADH1A 303/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 ADH1B 969/4885ADH1C 119/4885ADH1A 123/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 ADH1B 2177/4885ADH1C 367/4885ADH1A 385/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 ADH1B 1448/4885ADH1C 152/4885ADH1A 206/4885
US-20080319019-A1 Therapeutic Agents SDHA, GPR119, ABAT ADH1B 370/4885ADH1C 403/4885ADH1A 253/4885

“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.