SCHEMBL4856415

SCHEMBL4856415

CC1(C)CC(c2ccccc2N2CCN(CC3CC3CO)CC2)CC(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.41
DRD4 P21917 14/20 0.41
HTR1A P08908 3/20 0.35
ADRA1B P35368 3/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 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
SCHEMBL4857844 1.00 DRD2 (0.41) DRD2DRD4HTR1AADRA1BADRA1D
SCHEMBL14064733 1.00 DRD2 (0.41) DRD2DRD4HTR1AADRA1BADRA1D
SCHEMBL4856425 1.00 DRD2 (0.41) DRD2DRD4HTR1AADRA1BADRA1D
SCHEMBL4850762 0.89 DRD2 (0.44) DRD2DRD4HTR1AADRA1B
SCHEMBL4850769 0.89 DRD2 (0.44) DRD2DRD4HTR1AADRA1B
SCHEMBL4857299 0.89 DRD2 (0.41) DRD2DRD4HTR1AADRA1B
SCHEMBL4857296 0.89 DRD2 (0.41) DRD2DRD4HTR1AADRA1B
Hydrochloric Acid SCHEMBL4858571 0.88 DRD2 (0.43) DRD2DRD4HTR1AADRA1B
Hydrochloric Acid SCHEMBL4858096 0.88 DRD2 (0.40) DRD2DRD4HTR1AADRA1B
Hydrochloric Acid SCHEMBL4858564 0.88 DRD2 (0.43) DRD2DRD4HTR1AADRA1B

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 7 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
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-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 DRD2 554/4885DRD4 523/4885HTR1A 1433/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 DRD2 528/4885DRD4 566/4885HTR1A 1013/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 DRD2 563/4885DRD4 532/4885HTR1A 1192/4885

“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.