SCHEMBL4258539

SCHEMBL4258539

CCCCN1CCN(c2cc(CNC3CCOCC3)ccc2C2=CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
AXL P30530 1/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
HTR1A P08908 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
WDR5 P61964 1/20 0.34
PRMT5 O14744 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
OPRM1 P35372 3/20 0.33
OPRK1 P41145 3/20 0.33
SIGMAR1 Q99720 1/20 0.31
TYRO3 Q06418 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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 SCHEMBL5928855 1.00 PDCD1 (0.35) PDCD1CD274AXLDRD2DRD3
SCHEMBL4249896 0.87 KDM4E (0.32) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4254951 0.87 KDM4E (0.32) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4857767 0.87 DRD2 (0.35) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4857797 0.83 SIGMAR1 (0.36) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4254949 0.82 RET (0.33) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4250986 0.82 DRD2 (0.31) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4258535 0.82 DRD2 (0.31) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL13806177 0.82 RET (0.33) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4256072 0.82 DRD2 (0.38) PDCD1CD274DRD2DRD3HTR1A

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 4 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
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 PDCD1 804/4885CD274 432/4885AXL 3137/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 PDCD1 741/4885CD274 324/4885AXL 3247/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 PDCD1 348/4885CD274 308/4885AXL 3557/4885

“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.