SCHEMBL4249870

SCHEMBL4249870

CCCCN1CCN(c2ccc(C(=O)OC)cc2C2CC(C)(C)CC(C)(C)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1D P28221 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR7 P34969 1/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
Hydrochloric Acid SCHEMBL4249866 0.99 HTR4 (0.41) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL4253177 0.94 MAPT (0.41) HTR4HTR7DRD2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4407021 0.93 MAPT (0.40) HTR4HTR7DRD2KDM4EALDH1A1
SCHEMBL4256177 0.89 DRD2 (0.38) DRD2DRD3KDM4EHTR1ADRD4
SCHEMBL4252096 0.88 HRH2 (0.44) DRD2DRD3ALDH1A1HTR1ADRD4
Hydrochloric Acid SCHEMBL4253348 0.87 KDM4E (0.41) HTR4CHRM4CHRM5ADRA2CCHRM3
Hydrochloric Acid SCHEMBL4257966 0.87 HRH2 (0.43) DRD2ALDH1A1MAPTSMN1; SMN2HTR1A
SCHEMBL4257010 0.85 OPRD1 (0.43) DRD2KDM4EALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL4257008 0.84 OPRD1 (0.43) DRD2KDM4EALDH1A1MAPTNPC1
SCHEMBL4251471 0.83 CNR2 (0.42) DRD2DRD3MAPTNPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 HTR4 1016/4885CHRM4 1236/4885CHRM5 981/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 HTR4 1134/4885CHRM4 943/4885CHRM5 758/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 HTR4 1537/4885CHRM4 499/4885CHRM5 306/4885

“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.