SCHEMBL1574547

SCHEMBL1574547

COc1ccc2cc(CC#N)c(C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ GFER P55789 1/20 0.51
▸ KDM4E B2RXH2 8/20 0.50
▸ HSD17B10 Q99714 5/20 0.48
▸ CLK1 P49759 4/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ CASP1 P29466 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HPGDS O60760 1/20 0.48
▸ NQO1 P15559 1/20 0.48
▸ GAA P10253 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ HBB P68871 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43

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
SCHEMBL1574696 0.80 KDM4E (0.70) ALDH1A1GFERKDM4EHSD17B10CLK1
SCHEMBL1574753 0.80 ALDH1A1 (0.72) ALDH1A1GFERKDM4EHSD17B10CLK1
SCHEMBL12677805 0.79 ALDH1A1 (0.54) ALDH1A1GFERKDM4EHSD17B10CLK1
SCHEMBL1574405 0.78 KDM4E (0.58) ALDH1A1GFERKDM4EHSD17B10CLK1
SCHEMBL12677808 0.77 ALDH1A1 (0.51) ALDH1A1GFERKDM4EHSD17B10CLK1
SCHEMBL16480388 0.76 HSD17B10 (0.41) ALDH1A1HSD17B10L3MBTL1TDP1HPGDS
SCHEMBL1574486 0.75 HSD17B10 (0.54) ALDH1A1GFERKDM4EHSD17B10L3MBTL1
SCHEMBL29750685 0.75 HSD17B10 (0.54) ALDH1A1GFERKDM4EHSD17B10L3MBTL1
SCHEMBL17903203 0.75 ALDH1A1 (0.50) ALDH1A1GFERKDM4EL3MBTL1HPGDS
SCHEMBL12827022 0.74 ALDH1A1 (0.50) ALDH1A1GFERKDM4EHSD17B10CLK1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273767-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-09-25 — — US disclosed
US-8273767-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-09-25 — — US disclosed
EP-1751149-B1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LAB (US) 2012-06-06 — — EP disclosed
EP-1751149-B1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LAB (US) 2012-06-06 — — EP disclosed
US-7947711-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2011-05-24 — — US disclosed
US-7947711-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2011-05-24 — — US disclosed
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 — — US disclosed
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 — — US disclosed
EP-2308873-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents Abbott Laboratories (US) 2011-04-13 — — EP disclosed
EP-2308873-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents Abbott Laboratories (US) 2011-04-13 — — EP disclosed
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBVIE INC. 2005-12-08 — — US disclosed
US-20050272728-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents ABBVIE INC. 2005-12-08 — — US disclosed
WO-2005113551-A1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LABORATORIES (US) 2005-12-01 — — WO disclosed
WO-2005113536-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-12-01 — — WO disclosed
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-17 — — US disclosed
US-20050256118-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents ABBOTT LABORATORIES 2005-11-17 — — US disclosed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 — — EP disclosed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 — — US disclosed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 — — WO disclosed
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES 2004-05-13 — — 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 (7 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-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 ALDH1A1 1183/4885GFER 1630/4885KDM4E 3344/4885
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 ALDH1A1 3121/4885GFER 1660/4885KDM4E 2908/4885
US-20050272728-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents HRH3, HRH4, HRH2 ALDH1A1 2284/4885GFER 1847/4885KDM4E 1783/4885
US-20050256118-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents HRH3, HRH4, HRH2 ALDH1A1 2284/4885GFER 1847/4885KDM4E 1783/4885
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 ALDH1A1 3121/4885GFER 1660/4885KDM4E 2908/4885
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ALDH1A1 698/4885GFER 2463/4885KDM4E 3517/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ALDH1A1 687/4885GFER 2161/4885KDM4E 3614/4885

“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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