SCHEMBL12717751

SCHEMBL12717751

CC[C@@H]1CCCN(CC2CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.50
ADRA2C P18825 1/20 0.50
ACHE P22303 1/20 0.44
KDM2B Q8NHM5 11/20 0.39
BCHE P06276 1/20 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
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL19115285 1.00 CHRM5 (0.50) CHRM5ADRA2CACHEKDM2BBCHE
SCHEMBL12717758 1.00 CHRM5 (0.50) CHRM5ADRA2CACHEKDM2BBCHE
SCHEMBL12717705 0.87 ACHE (0.42) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL12718145 0.87 ACHE (0.42) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL12718139 0.87 ACHE (0.42) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL16556596 0.86 ACHE (0.57) CHRM5ADRA2CACHE
SCHEMBL12718219 0.83 BCHE (0.40) CHRM5ADRA2CBCHEKCNH2DRD2
SCHEMBL9926453 0.83 BCHE (0.40) CHRM5ADRA2CBCHEKCNH2DRD2
SCHEMBL12718204 0.83 BCHE (0.40) CHRM5ADRA2CBCHEKCNH2DRD2
SCHEMBL22361384 0.82 KDM2B (0.41) KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 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-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 (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-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-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.