SCHEMBL4831454

SCHEMBL4831454

[c]1ccnc(N2CCC2)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.34
CNR2 P34972 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PLD1 Q13393 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CHKA P35790 1/20 0.30

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
SCHEMBL1599784 0.96 HRH4 (0.38) HRH4CNR2KDM4EPLD1CHRM3
SCHEMBL2324452 0.94 HRH4 (0.40) HRH4CNR2CHRM3PDE4APDE4B
SCHEMBL1569984 0.82 HRH4 (0.45) HRH4
SCHEMBL182823 0.82 PLD1 (0.53) HRH4KDM4EPLD1
SCHEMBL455110 0.82 PIK3CA (0.44) KDM4E
SCHEMBL4781342 0.82 ALDH1A1 (0.37) CNR2KDM4EPLD1
SCHEMBL20898820 0.80 CYP1A2 (0.34) CNR2KDM4E
SCHEMBL4829515 0.79
SCHEMBL20898829 0.78 PTPN11 (0.36)
SCHEMBL7681753 0.78 MAP4K4 (0.43) KDM4ECHRM3PDE4APDE4BPDE4C

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US claimed
EP-1163237-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-06 EP claimed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP claimed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO claimed
US-10160745-B2 Piperidine and azepine derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-12-25 US disclosed
US-20180009780-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-11 US disclosed
EP-3030553-B1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-03 EP disclosed
US-9790201-B2 Piperidine and azepine derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-17 US disclosed
US-20160185752-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-30 US disclosed
EP-3030553-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
WO-2015019103-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2015-02-12 WO disclosed
US-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US disclosed
EP-1163237-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 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 (5 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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B HRH4 217/4885CNR2 108/4885KDM4E 1496/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B HRH4 217/4885CNR2 108/4885KDM4E 1496/4885
US-10160745-B2 Piperidine and azepine derivatives as prokineticin receptor modulators GIPR, PROKR1, PROKR2 HRH4 89/4885CNR2 352/4885KDM4E 2884/4885
US-20160185752-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS GIPR, PROKR1, PROKR2 HRH4 90/4885CNR2 326/4885KDM4E 2910/4885
US-20180009780-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS GIPR, PROKR1, PROKR2 HRH4 89/4885CNR2 352/4885KDM4E 2884/4885

“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.