SCHEMBL4253786

SCHEMBL4253786

COCCOc1ccc(N2CCNCC2)c(C2CC(C)(C)CC(C)(C)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 5/20 0.41
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
RET P07949 1/20 0.40
FFAR4 Q5NUL3 1/20 0.37
NCF1 P14598 1/20 0.36
OPRM1 P35372 1/20 0.35
HTR1A P08908 5/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
TGFBR1 P36897 1/20 0.35
ADRB1 P08588 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4251865 0.91 CHRNB2 (0.43) CHRNB2CHRNA4HTR3AHTR3EHTR3B
SCHEMBL4250173 0.86 HTR3A (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4253808 0.84 SLC6A2 (0.39) SLC6A2SLC6A4ALDH1A1
SCHEMBL13806128 0.83 SLC6A2 (0.35) RETFFAR4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4254246 0.83 SLC6A2 (0.39) HTR1ASLC6A2SLC6A4HTR7ALDH1A1
Hydrochloric Acid SCHEMBL5056639 0.83 LMNA (0.35) RETFFAR4SLC6A2SLC6A4ALDH1A1
SCHEMBL13806127 0.83 SLC6A2 (0.42) HTR1ASLC6A2SLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL4253274 0.82 SLC6A2 (0.42) HTR1ASLC6A2SLC6A4HTR7ALDH1A1
SCHEMBL13816295 0.81 HTR3A (0.38) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4253213 0.80 RET (0.47) RET

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 CHRNB2 1152/4885CHRNA4 1725/4885HTR3A 963/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 CHRNB2 1042/4885CHRNA4 1424/4885HTR3A 1176/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 CHRNB2 377/4885CHRNA4 582/4885HTR3A 1271/4885

“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.