SCHEMBL803840

SCHEMBL803840

CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccnc(N3CCCC3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
TBK1 Q9UHD2 3/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CHRM4 P08173 3/20 0.40
PIK3CD O00329 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
MCHR1 Q99705 3/20 0.39
LSS P48449 1/20 0.39
CCR3 P51677 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
LTA4H P09960 1/20 0.38
KCNH2 Q12809 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 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
SCHEMBL785378 0.86 CCR3 (0.44) HCRTR1HCRTR2PPARGPPARDPPARA
SCHEMBL785317 0.78 PDE10A (0.49) PDE10APIK3CDAAK1KDM4D
SCHEMBL803672 0.78 SIGMAR1 (0.59) KCNH2OPRM1
SCHEMBL24872890 0.76 OPRM1 (0.46) PIK3CDMCHR1CCR3KCNH2OPRM1
SCHEMBL30112429 0.76 MBTD1 (0.48) MCHR1CCR3KCNH2
SCHEMBL24872889 0.76 MBTD1 (0.48) MCHR1CCR3KCNH2
SCHEMBL30112474 0.76 OPRM1 (0.46) PIK3CDMCHR1CCR3KCNH2OPRM1
SCHEMBL24881009 0.76 CHRM2 (0.51) MCHR1LSSKCNH2
SCHEMBL24881010 0.76 KCNH2 (0.48) MCHR1LSSCCR3KCNH2
SCHEMBL4623370 0.75 L3MBTL1 (0.54) PDE10A

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-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
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 HCRTR1 214/4885HCRTR2 500/4885TBK1 1245/4885

“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.