SCHEMBL803608

SCHEMBL803608

Cc1cc(N2CCC(CCN)CC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.47
ENPP1 P22413 1/20 0.43
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
CDK1 P06493 1/20 0.40
SUV39H2 Q9H5I1 2/20 0.40
F10 P00742 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
HRH4 Q9H3N8 3/20 0.39
F2 P00734 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
AOC3 Q16853 1/20 0.38
CHRM4 P08173 1/20 0.38
PTPN11 Q06124 1/20 0.37
BPTF Q12830 1/20 0.36
TLR8 Q9NR97 1/20 0.35

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
Hydrochloric Acid SCHEMBL784498 0.99 LDHA (0.47) LDHAENPP1ROCK2ROCK1CDC42BPB
SCHEMBL22886404 0.88 LDHA (0.49) LDHAROCK2ROCK1CDC42BPBCDK1
SCHEMBL7008838 0.80 HRH4 (0.48) LDHAF10HRH4F2PLAT
SCHEMBL803795 0.80 LDHA (0.55) LDHAROCK2ROCK1F10HRH4
Trifluoroacetic Acid SCHEMBL6066399 0.80 LDHA (0.44) LDHAF10HRH4F2PLAT
Trifluoroacetic Acid SCHEMBL6066800 0.80 LDHA (0.44) LDHAF10HRH4F2PLAT
Trifluoroacetic Acid SCHEMBL6066492 0.80 LDHA (0.44) LDHAF10HRH4F2PLAT
SCHEMBL4714378 0.80 CHRM1 (0.39) ENPP1ROCK2ROCK1CDC42BPBCDK1
Hydrochloric Acid SCHEMBL16684861 0.79 HRH4 (0.47) LDHAF10HRH4F2PLAT
Hydrochloric Acid SCHEMBL784664 0.79 LDHA (0.54) LDHAROCK2ROCK1F10HRH4

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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 LDHA 1564/4885ENPP1 4061/4885ROCK2 3995/4885

“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.