SCHEMBL4249896

SCHEMBL4249896

CCCCN1CCN(c2cc(NC3CCOCC3)ccc2C2=CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
RET P07949 1/20 0.32
ROS1 P08922 1/20 0.32
FLT3 P36888 1/20 0.32
EML4 Q9HC35 1/20 0.32
ALK Q9UM73 1/20 0.32
DRD2 P14416 4/20 0.31
DRD3 P35462 4/20 0.31
HTR1A P08908 2/20 0.31
DRD4 P21917 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
GAA P10253 1/20 0.30
USP2 O75604 1/20 0.30
MAPK1 P28482 1/20 0.30

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 SCHEMBL4254951 1.00 KDM4E (0.32) KDM4ELMNARETROS1FLT3
SCHEMBL13806177 0.93 RET (0.33) KDM4ELMNARETROS1FLT3
Hydrochloric Acid SCHEMBL4254949 0.93 RET (0.33) KDM4ELMNARETROS1FLT3
SCHEMBL4258539 0.87 PDCD1 (0.35) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL5928855 0.87 PDCD1 (0.35) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4857791 0.86 DRD2 (0.34) KDM4ELMNADRD2DRD3HTR1A
SCHEMBL4258535 0.83 DRD2 (0.31) KDM4ELMNADRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL4250986 0.83 DRD2 (0.31) KDM4ELMNADRD2DRD3HTR1A
SCHEMBL4260184 0.81 DRD2 (0.32) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL5928916 0.81 DRD2 (0.32) DRD2DRD3HTR1ADRD4HTR2A

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 KDM4E 2662/4885LMNA 3467/4885RET 1757/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 KDM4E 2695/4885LMNA 3212/4885RET 1882/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 KDM4E 3905/4885LMNA 4801/4885RET 2375/4885

“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.