Sugi Predict

Sugi Predict / Compounds / SCHEMBL4255114

SCHEMBL4255114

SCHEMBL4255114

CCCCN1CCN(c2cc3ccccc3cc2C2=CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.41
▸ DRD3 P35462 7/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ SLC6A4 P31645 3/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ADRA1A P35348 1/20 0.36

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 SCHEMBL4852778 0.88 DRD2 (0.46) DRD2DRD3KDM4ELMNAHTR1A
Hydrochloric Acid SCHEMBL4848670 0.85 KDM4E (0.49) DRD2DRD3KDM4ELMNAHTR1A
Hydrochloric Acid SCHEMBL4848248 0.84 DRD2 (0.42) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4851316 0.84 GAA (0.37) DRD2DRD3KDM4ELMNAHTR1A
Hydrochloric Acid SCHEMBL4849473 0.84 PTGS2 (0.40) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4253420 0.84 GAA (0.37) DRD2DRD3KDM4ELMNAHTR1A
Hydrochloric Acid SCHEMBL4857431 0.84 DRD2 (0.38) DRD2DRD3KDM4ELMNAHTR1A
Hydrochloric Acid SCHEMBL5053525 0.83 DRD2 (0.39) DRD2DRD3KDM4ELMNAHTR1A
Hydrochloric Acid SCHEMBL4857772 0.83 HTR1A (0.38) DRD2DRD3KDM4ELMNAHTR1A
Hydrochloric Acid SCHEMBL4855045 0.83 DRD2 (0.38) DRD2DRD3KDM4ELMNAHTR1A

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 DRD2 746/4885DRD3 638/4885KDM4E 2662/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 DRD2 768/4885DRD3 610/4885KDM4E 2695/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 DRD2 563/4885DRD3 224/4885KDM4E 3905/4885

“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.