Sugi Predict

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SCHEMBL4251471

SCHEMBL4251471

CCCCN1CCN(c2ccc(C(=O)N3CCOCC3)cc2C2CC(C)(C)CC(C)(C)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.42
▸ HRH3 Q9Y5N1 4/20 0.41
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ DRD3 P35462 1/20 0.37

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
SCHEMBL4256177 0.86 DRD2 (0.38) HRH2HRH1GAALMNADRD2
SCHEMBL13806204 0.85 DRD2 (0.41) NPC1GAASMN1; SMN2HPGDMAPT
SCHEMBL13806206 0.84 MLYCD (0.37) HRH2HRH1NPC1MAPTDRD2
Hydrochloric Acid SCHEMBL4253348 0.84 KDM4E (0.41) DRD2HTR2ADRD3
SCHEMBL4249870 0.83 HTR4 (0.41) NPC1SMN1; SMN2HPGDTSHRMAPT
SCHEMBL4254945 0.83 KDM4E (0.40) HRH3GAAMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL4249866 0.82 HTR4 (0.41) NPC1SMN1; SMN2HPGDTSHRMAPT
Hydrochloric Acid SCHEMBL4851352 0.82 KDM4E (0.40) HRH3GAAUSP2MAPTLMNA
SCHEMBL4252091 0.81 MEN1 (0.40) HRH3NPC1SMN1; SMN2HPGDUSP2
SCHEMBL4252096 0.81 HRH2 (0.44) HRH2HRH1DRD2DRD3

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 CNR2 843/4885HRH3 11/4885HRH2 65/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 CNR2 619/4885HRH3 22/4885HRH2 84/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 CNR2 227/4885HRH3 1/4885HRH2 6/4885

“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.