SCHEMBL4856942

SCHEMBL4856942

CCCCN1CCN(c2ccc(Br)cc2C2CCC3(CC2)CC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.41
DRD3 P35462 7/20 0.41
HTR1A P08908 5/20 0.39
DRD4 P21917 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ADRA1B P35368 2/20 0.38
ACHE P22303 1/20 0.37
HTR4 Q13639 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GPR183 P32249 1/20 0.36

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
SCHEMBL4251922 0.91 DRD2 (0.40) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL27752335 0.84 DRD2 (0.40) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4857169 0.84 DRD2 (0.41) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4857621 0.83 DRD2 (0.39) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4253965 0.83 HTR2B (0.40) DRD2DRD3HTR1ADRD4LMNA
Hydrochloric Acid SCHEMBL4858036 0.83 DRD2 (0.40) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4852892 0.82 KDM4E (0.52) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4857549 0.81 KDM4E (0.40) DRD2DRD3HTR1AKDM4ELMNA
SCHEMBL6480822 0.80 KDM4E (0.59) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4858317 0.80 HTR1A (0.41) DRD2DRD3HTR1AKDM4EADRA1B

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 554/4885DRD3 315/4885HTR1A 1433/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 DRD2 528/4885DRD3 284/4885HTR1A 1013/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 DRD2 563/4885DRD3 224/4885HTR1A 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.