SCHEMBL4849784

SCHEMBL4849784

COc1ccc(C2CCC(C(C)(C)C)CC2)c(N2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.51
HTR3E A5X5Y0 2/20 0.51
HTR3B O95264 2/20 0.51
HTR3D Q70Z44 2/20 0.51
HTR3C Q8WXA8 2/20 0.51
ADRB1 P08588 3/20 0.47
NCF1 P14598 1/20 0.44
BCL9 O00512 2/20 0.44
CTNNB1 P35222 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 8/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR7 P34969 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL4851226 0.82 HTR5A (0.45) ADRB1BCL9CTNNB1HTR1AHTR2C
SCHEMBL27671014 0.81 DRD2 (0.46) SIGMAR1HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL4859677 0.80 DRD2 (0.46) SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL4852992 0.79 HTR1A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL27650931 0.76 HTR3A (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4854330 0.73 ALDH1A1 (0.41) KMT2A
SCHEMBL2866470 0.73 HTR3A (0.65) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL2876565 0.72 HTR3A (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2874319 0.71 HTR3A (0.77) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7412675 0.71 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C

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 HTR3A 1589/4885HTR3E 2165/4885HTR3B 2400/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 HTR3A 1011/4885HTR3E 1439/4885HTR3B 1545/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 HTR3A 1271/4885HTR3E 1653/4885HTR3B 2119/4885

“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.