SCHEMBL803499

SCHEMBL803499

CC(C)(C)Cc1ccnc(N2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.48
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
AOC3 Q16853 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
ADRB1 P08588 1/20 0.38
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
LRRK2 Q5S007 1/20 0.37
PROKR1 Q8TCW9 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
MAPK14 Q16539 1/20 0.36
CXCR4 P61073 1/20 0.36
HRH2 P25021 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
SCHEMBL18924322 0.98 HRH4 (0.50) HRH4HCRTR1HCRTR2AOC3OPRM1
SCHEMBL18924366 0.88 HRH4 (0.52) HRH4OPRM1OPRL1HRH3HRH2
SCHEMBL13028832 0.86 PIK3CA (0.50) HCRTR1HCRTR2OPRM1OPRL1LRRK2
SCHEMBL15621623 0.82 HRH4 (0.49) HRH4HCRTR1HCRTR2AOC3OPRM1
SCHEMBL10274925 0.81 HRH4 (0.51) HRH4HCRTR1HCRTR2AOC3OPRM1
SCHEMBL18888320 0.80 HRH4 (0.54) HRH4HCRTR1HCRTR2OPRM1OPRL1
SCHEMBL13990855 0.80 HRH4 (0.54) HRH4HCRTR1HCRTR2OPRM1OPRL1
SCHEMBL4098507 0.78 LOXL2 (0.53) HRH4HCRTR1HCRTR2AOC3OPRM1
SCHEMBL31421129 0.78 LOXL2 (0.53) HRH4HCRTR1HCRTR2AOC3OPRM1
SCHEMBL1743196 0.78 HRH3 (0.48) HRH4HCRTR1HCRTR2AOC3HRH3

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 3 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-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 HRH4 5/4885HCRTR1 214/4885HCRTR2 500/4885

“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.