SCHEMBL4850200

SCHEMBL4850200

COC1CCN(c2ccc(N3CCNCC3)c(C3CC(C)(C)CC(C)(C)C3)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.37
HTR1A P08908 2/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR3E A5X5Y0 3/20 0.36
HTR3B O95264 3/20 0.36
HTR3A P46098 3/20 0.36
HTR3D Q70Z44 3/20 0.36
HTR3C Q8WXA8 3/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTR7 P34969 2/20 0.34
NTSR1 P30989 1/20 0.34
IDH1 O75874 1/20 0.34
HTR5A P47898 1/20 0.33
TGFBR1 P36897 2/20 0.33
ACVR1 Q04771 1/20 0.33

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
SCHEMBL6021774 0.83 OPRD1 (0.34) HTR1ASIGMAR1HTR7IDH1
Hydrochloric Acid SCHEMBL4849935 0.83 DRD2 (0.41) HTR1AHTR1DHTR1BSIGMAR1HTR7
Hydrochloric Acid SCHEMBL4857320 0.83 OPRD1 (0.33) HTR1ASIGMAR1HTR7IDH1
Hydrochloric Acid SCHEMBL4857732 0.82 RORC (0.33) NTSR1IDH1
SCHEMBL4253297 0.82 DRD2 (0.39) HTR1A
Hydrochloric Acid SCHEMBL4851034 0.82 TMEM97 (0.39) SIGMAR1
SCHEMBL5024759 0.82 NTSR1 (0.38) ADRB1HTR1AHTR1DHTR1BHTR3E
SCHEMBL5024760 0.82 NTSR1 (0.38) ADRB1HTR1AHTR1DHTR1BHTR3E
SCHEMBL4856770 0.82 MAP4K4 (0.39) NTSR1IDH1
Hydrochloric Acid SCHEMBL4857009 0.81 DRD2 (0.39) HTR1A

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 14 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
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 ADRB1 92/4885HTR1A 1433/4885HTR1D 967/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 ADRB1 73/4885HTR1A 1013/4885HTR1D 643/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 ADRB1 117/4885HTR1A 1192/4885HTR1D 596/4885

“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.