SCHEMBL4858263

SCHEMBL4858263

CCCCN1CCN(c2ccc([N+](=O)[O-])cc2C2=CC(C)(C)CC(C)(C)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 2/20 0.41
MAPT P10636 2/20 0.40
ADRA1B P35368 1/20 0.39
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNJ1 P48048 1/20 0.37
DRD4 P21917 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 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 SCHEMBL5015879 0.99 LMNA (0.48) LMNAGAAALDH1A1KDM4EHTR1A
Hydrochloric Acid SCHEMBL4848434 0.84 DRD2 (0.40) HTR1AADRA1BDRD2HTR2ADRD4
Hydrochloric Acid SCHEMBL4859577 0.84 DRD2 (0.38) LMNAKDM4EHTR1AADRA1BDRD2
SCHEMBL4849977 0.81 HTR7 (0.48) LMNAGAAALDH1A1HTR1A
SCHEMBL4252063 0.81 DRD2 (0.49) LMNAKDM4EHTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4859631 0.80 DRD2 (0.48) LMNAKDM4EHTR1ADRD2HTR2A
SCHEMBL4254783 0.80 KDM4E (0.38) LMNAGAAALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL4856003 0.79 KDM4E (0.38) LMNAGAAALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL4856467 0.78 MEN1 (0.40) LMNAKDM4EHTR1AADRA1BDRD2
Hydrochloric Acid SCHEMBL4855922 0.77 HTR1A (0.38) LMNAGAAHTR1AMAPTADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 US disclosed
EP-1698620-A1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS Eisai Co., Ltd. (JP) 2006-09-06 EP disclosed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 LMNA 4851/4885GAA 4860/4885ALDH1A1 707/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 LMNA 4842/4885GAA 4874/4885ALDH1A1 705/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 LMNA 4801/4885GAA 4880/4885ALDH1A1 617/4885

“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.