SCHEMBL4852992

SCHEMBL4852992

CC(C)(C)C1CCC(c2ccccc2N2CCNCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRB1 P08588 5/20 0.49
HTR6 P50406 3/20 0.44
HTR3A P46098 3/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
CYP2C19 P33261 1/20 0.44
HTR7 P34969 3/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTR2A P28223 2/20 0.42
HTR5A P47898 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL8291557 0.88 ADRB1 (0.61) HTR1ASLC6A2SLC6A4ADRB1HTR6
Ethoxycarbonyl Group SCHEMBL27671026 0.86 HTR1A (0.46) HTR1ASLC6A2SLC6A4ADRB1HTR6
Hydrochloric Acid SCHEMBL7836810 0.86 HTR1A (0.59) HTR1ASLC6A2SLC6A4ADRB1HTR6
Hydrochloric Acid SCHEMBL4858570 0.84 ADRA2C (0.45) HTR1ASLC6A2SLC6A4HTR6HTR3A
SCHEMBL28291412 0.83 ADRB1 (0.59) HTR1ASLC6A2SLC6A4ADRB1HTR6
SCHEMBL27773198 0.81 HTR2C (0.39) HTR1ASLC6A2SLC6A4HTR6HTR2A
SCHEMBL4851226 0.81 HTR5A (0.45) HTR1ASLC6A2SLC6A4ADRB1DRD2
Hydrochloric Acid SCHEMBL4856076 0.81 HTR1A (0.45) HTR1AHTR6DRD2DRD3LMNA
SCHEMBL4856101 0.80 ADRB1 (0.56) HTR1ASLC6A2SLC6A4ADRB1HTR6
SCHEMBL4849498 0.80 ADRB1 (0.56) HTR1ASLC6A2SLC6A4ADRB1HTR6

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 16 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
CN-100526301-C 1, 2-di (cyclic) substituted benzene compounds EISAI R&D MAN CO LTD (JP) 2009-08-12 CN 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 HTR1A 1433/4885SLC6A2 3702/4885SLC6A4 3565/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 HTR1A 1013/4885SLC6A2 3668/4885SLC6A4 3493/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 HTR1A 1192/4885SLC6A2 2884/4885SLC6A4 3157/4885

“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.