SCHEMBL4250259

SCHEMBL4250259

CCCCN1CCN(c2cc([N+](=O)[O-])ccc2C2=CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR1A P08908 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.35
ADRA1B P35368 2/20 0.35
HTR7 P34969 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 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
SCHEMBL4253420 0.84 GAA (0.37) LMNAGAADRD2HTR2AKDM4E
Hydrochloric Acid SCHEMBL4851316 0.84 GAA (0.37) LMNAGAADRD2HTR2AKDM4E
Hydrochloric Acid SCHEMBL4857431 0.84 DRD2 (0.38) LMNADRD2HTR2AKDM4EHTR1A
Hydrochloric Acid SCHEMBL4855045 0.83 DRD2 (0.38) LMNAGAADRD2HTR2AKDM4E
Hydrochloric Acid SCHEMBL4857772 0.83 HTR1A (0.38) LMNADRD2HTR2AKDM4EHTR1A
Hydrochloric Acid SCHEMBL4848248 0.82 DRD2 (0.42) DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL4852778 0.81 DRD2 (0.46) LMNADRD2HTR2AKDM4EHTR1A
Hydrochloric Acid SCHEMBL4857791 0.81 DRD2 (0.34) LMNADRD2HTR2AKDM4EHTR1A
Hydrochloric Acid SCHEMBL4857767 0.81 DRD2 (0.35) LMNADRD2HTR2AKDM4EHTR1A
Hydrochloric Acid SCHEMBL4857808 0.81 DRD2 (0.34) LMNADRD2HTR2AKDM4EHTR1A

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 LMNA 3467/4885GAA 4871/4885DRD2 746/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 LMNA 3212/4885GAA 4876/4885DRD2 768/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 LMNA 4801/4885GAA 4880/4885DRD2 563/4885

“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.