SCHEMBL6189068

SCHEMBL6189068

N#Cc1ccc2ccc(OCCl)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 7/20 0.58
▸ SLC6A4 P31645 7/20 0.58
▸ SLC6A3 Q01959 4/20 0.58
▸ KCNH2 Q12809 3/20 0.58
▸ HTR3A P46098 2/20 0.58
▸ HPGDS O60760 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PORCN Q9H237 1/20 0.38
▸ AGXT P21549 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ IMPDH2 P12268 1/20 0.36
▸ IMPDH1 P20839 1/20 0.36

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
SCHEMBL3936138 0.81 MAOB (0.53) MAOBCA1CA2CYP2A6
SCHEMBL6188582 0.80 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL7345480 0.80 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL7565814 0.79 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL28307100 0.78 HPGDS (0.52) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL6100031 0.78 MAOB (0.71) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL29489123 0.77 CYP2A6 (0.52) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL1341822 0.77 CYP2A6 (0.52) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL11024053 0.77 TBXAS1 (0.49) SLC6A2SLC6A4SLC6A3MAOB
SCHEMBL6100448 0.77 NQO1 (0.59) SLC6A2SLC6A4SLC6A3KCNH2HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070714-A9 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-10-19 — — EP disclosed
EP-1070714-B1 AMIDINE COMPOUNDS JAPAN TOBACCO INC (JP) 2004-08-04 — — EP disclosed
US-20040006099-A1 Amidine compounds JAPAN TOBACCO INC. 2004-01-08 — — US disclosed
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 — — US disclosed
EP-1070714-A1 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2001-01-24 — — EP 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 (1 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-20040006099-A1 Amidine compounds F2, SERPINC1, F12 SLC6A2 1982/4885SLC6A4 3568/4885SLC6A3 2590/4885

“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.

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