Sugi Predict

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SCHEMBL4256170

SCHEMBL4256170

CCCCN1CCN(c2cc3c(cc2C2CC(C)(C)CC(C)(C)C2)OCCO3)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.38
▸ DRD3 P35462 5/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35

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 SCHEMBL4253665 0.99 DRD2 (0.37) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL13806140 0.97 KDM4E (0.39) HTR1AKDM4ELMNA
Hydrochloric Acid SCHEMBL4253694 0.96 KDM4E (0.39) HTR1AKDM4ELMNA
SCHEMBL13806070 0.93 DRD2 (0.38) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL13806139 0.93 DRD2 (0.42) DRD2DRD3DRD4HTR2ALMNA
Hydrochloric Acid SCHEMBL5050449 0.92 DRD2 (0.37) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4260227 0.92 DRD2 (0.41) DRD2DRD3DRD4HTR2ALMNA
SCHEMBL13806137 0.86 ADRA1D (0.38) DRD2DRD3HTR1ADRD4LMNA
Hydrochloric Acid SCHEMBL4256413 0.85 ADRA1D (0.37) DRD2DRD3HTR1ADRD4KDM4E
SCHEMBL13806141 0.83 HTR1A (0.41) DRD2DRD3HTR1A

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 7 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
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 DRD2 746/4885DRD3 638/4885HTR1A 721/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 DRD2 768/4885DRD3 610/4885HTR1A 769/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 DRD2 563/4885DRD3 224/4885HTR1A 1192/4885

“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.