SCHEMBL861534

SCHEMBL861534

N[C@H]1CC[C@H](CN2CCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.62
ADRA2C P18825 1/20 0.62
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN11A Q9UI33 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
HRH1 P35367 1/20 0.35
CASP1 P29466 1/20 0.34
CASP4 P49662 1/20 0.34
CASP5 P51878 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
SCHEMBL861535 1.00 CHRM5 (0.62) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL2681656 1.00 CHRM5 (0.62) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL4132043 0.98 CHRM5 (0.67) CHRM5ADRA2CACHESMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL14634437 0.98 CHRM5 (0.60) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL4132048 0.98 CHRM5 (0.67) CHRM5ADRA2CACHESMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL15190826 0.98 CHRM5 (0.60) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL16271017 0.98 CHRM5 (0.67) CHRM5ADRA2CACHESMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL28416577 0.96 CHRM5 (0.64) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL3811966 0.95 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL3811970 0.95 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345709-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-05-24 US disclosed
US-9345709-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-05-24 US disclosed
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
US-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-11-19 US disclosed
US-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-11-19 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-9067937-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-06-30 US disclosed
US-9067937-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-06-30 US disclosed
US-20150005302-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-01-01 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO disclosed
WO-2009071519-A9 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-03 WO disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
WO-2009071519-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 WO disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 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 (5 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-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NEK1, NEK5 CHRM5 4629/4885ADRA2C 4006/4885ACHE 4799/4885
US-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CHRM5 4149/4885ADRA2C 2177/4885ACHE 2878/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CHRM5 4149/4885ADRA2C 2177/4885ACHE 2878/4885
US-20150005302-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NEK1, NEK5 CHRM5 4629/4885ADRA2C 4006/4885ACHE 4799/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP CHRM5 4149/4885ADRA2C 2177/4885ACHE 2878/4885

“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.