SCHEMBL4849922

SCHEMBL4849922

COC(=O)CCN1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.47
HTR1A P08908 7/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR7 P34969 2/20 0.44
DRD2 P14416 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRL1 P41146 1/20 0.43

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
SCHEMBL4856851 0.88 HTR1A (0.50) DRD4HTR1AALDH1A1ADRA1BHTR7
SCHEMBL4849871 0.88 HTR1A (0.47) DRD4HTR1AALDH1A1ADRA1BHTR7
SCHEMBL4852177 0.85 DRD4 (0.46) DRD4HTR1AADRA1BHTR7DRD2
Hydrochloric Acid SCHEMBL4856044 0.84 DRD4 (0.45) DRD4HTR1AADRA1BHTR7DRD2
SCHEMBL27671033 0.83 HTR1A (0.46) DRD4HTR1AALDH1A1ADRA1BHTR7
SCHEMBL4253975 0.83 HTR1A (0.47) DRD4HTR1AADRA1BDRD2
Hydrochloric Acid SCHEMBL27671001 0.83 HTR1A (0.45) DRD4HTR1AALDH1A1ADRA1BHTR7
Hydrochloric Acid SCHEMBL4856241 0.82 HTR1A (0.46) DRD4HTR1AADRA1BDRD2MAPT
Hydrochloric Acid SCHEMBL4856751 0.82 DRD2 (0.47) DRD4HTR1AADRA1BDRD2
Hydrochloric Acid SCHEMBL4859566 0.80 DRD2 (0.50) HTR1AKDM4EADRA1BDRD2

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 15 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
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-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US 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-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
CN-1902170-A 1, 2-di (cyclic) substituted benzene compounds EISAI R&D MAN CO LTD (JP) 2007-01-24 CN 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 DRD4 523/4885HTR1A 1433/4885ALDH1A1 707/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 DRD4 566/4885HTR1A 1013/4885ALDH1A1 705/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 DRD4 532/4885HTR1A 1192/4885ALDH1A1 617/4885

“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.