SCHEMBL4253420

SCHEMBL4253420

CCCCN1CCN(c2cc(N)ccc2C2=CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAD52 P43351 1/20 0.37
GFER P55789 1/20 0.37
DRD2 P14416 9/20 0.36
DRD3 P35462 7/20 0.36
HTR4 Q13639 2/20 0.36
ACHE P22303 1/20 0.36
HTR2A P28223 4/20 0.35
HTR1A P08908 3/20 0.35
DRD4 P21917 2/20 0.35
HTR2C P28335 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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 SCHEMBL4851316 1.00 GAA (0.37) GAAMAPTRAD52GFERDRD2
Hydrochloric Acid SCHEMBL4857797 0.89 SIGMAR1 (0.36) DRD2DRD3HTR2AHTR1ADRD4
Hydrochloric Acid SCHEMBL4857431 0.88 DRD2 (0.38) DRD2DRD3HTR2AHTR1ADRD4
Hydrochloric Acid SCHEMBL4857772 0.87 HTR1A (0.38) DRD2DRD3HTR2AHTR1ADRD4
Hydrochloric Acid SCHEMBL4855045 0.87 DRD2 (0.38) GAADRD2DRD3HTR2AHTR1A
Hydrochloric Acid SCHEMBL4857808 0.87 DRD2 (0.34) DRD2DRD3HTR2AHTR1ADRD4
Hydrochloric Acid SCHEMBL4848248 0.86 DRD2 (0.42) DRD2DRD3HTR2AHTR1ADRD4
Hydrochloric Acid SCHEMBL4852778 0.85 DRD2 (0.46) DRD2DRD3HTR2AHTR1ADRD4
Hydrochloric Acid SCHEMBL4857767 0.85 DRD2 (0.35) DRD2DRD3HTR2AHTR1ADRD4
Hydrochloric Acid SCHEMBL4857791 0.85 DRD2 (0.34) DRD2DRD3HTR2AHTR1ADRD4

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 GAA 4871/4885MAPT 4564/4885RAD52 2025/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 GAA 4876/4885MAPT 4459/4885RAD52 1944/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 GAA 4880/4885MAPT 2706/4885RAD52 1083/4885

“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.