Sugi Predict

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SCHEMBL4249883

SCHEMBL4249883

CCCCN1CCN(c2c(NCC(=O)O)cccc2C2=CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 9/20 0.39
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ DRD2 P14416 3/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ MT-CO2 P00403 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ CYP2J2 P51589 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
Hydrochloric Acid SCHEMBL4251062 0.93 CHRM3 (0.36) CHRM3UBE2MDCUN1D1DRD2DRD4
SCHEMBL13806247 0.93 CHRM3 (0.36) CHRM3UBE2MDCUN1D1DRD2DRD4
Hydrochloric Acid SCHEMBL4256509 0.93 CHRM3 (0.37) CHRM3UBE2MDCUN1D1DRD2DRD4
SCHEMBL4256514 0.93 CHRM3 (0.37) CHRM3UBE2MDCUN1D1DRD2DRD4
SCHEMBL13806185 0.92 CHRM3 (0.35) CHRM3UBE2MDCUN1D1DRD2DRD3
SCHEMBL13806183 0.92 CHRM3 (0.35) CHRM3UBE2MDCUN1D1DRD2DRD4
Hydrochloric Acid SCHEMBL4407511 0.92 CHRM3 (0.35) CHRM3UBE2MDCUN1D1DRD2DRD4
Hydrochloric Acid SCHEMBL5056810 0.92 CHRM3 (0.35) CHRM3UBE2MDCUN1D1DRD2DRD3
SCHEMBL4260184 0.82 DRD2 (0.32) CHRM3DRD2DRD4DRD3HTR1A
Hydrochloric Acid SCHEMBL5928916 0.82 DRD2 (0.32) CHRM3DRD2DRD4DRD3HTR1A

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 CHRM3 780/4885UBE2M 4072/4885DCUN1D1 1448/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 CHRM3 616/4885UBE2M 3715/4885DCUN1D1 1488/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 CHRM3 216/4885UBE2M 3230/4885DCUN1D1 1437/4885

“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.