SCHEMBL803436

SCHEMBL803436

CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)OC(C)(C)C)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.40
MCHR1 Q99705 1/20 0.40
KDM4D Q6B0I6 1/20 0.39
USP30 Q70CQ3 1/20 0.38
F10 P00742 3/20 0.38
POLB P06746 1/20 0.37
CCR5 P51681 1/20 0.36
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
TSPO P30536 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
SCHEMBL803923 0.89 TLR9 (0.40) GPR119USP30F10HTR1ACHRM5
SCHEMBL785627 0.87 MCHR1 (0.41) MCHR1F10POLBCCR5HRH3
SCHEMBL785891 0.86 F10 (0.41) MCHR1F10POLBCCR5TMEM97
SCHEMBL785828 0.85 MCHR1 (0.40) MCHR1F10POLBCCR5HRH3
SCHEMBL785592 0.85 CCR5 (0.39) MCHR1USP30F10POLBCCR5
SCHEMBL785218 0.84 GPR119 (0.39) GPR119MCHR1KDM4DUSP30F10
SCHEMBL785217 0.84 GPR119 (0.39) GPR119MCHR1KDM4DUSP30F10
SCHEMBL785359 0.84 F10 (0.41) MCHR1F10POLBCCR5TMEM97
SCHEMBL785635 0.83 POLB (0.44) MCHR1F10POLBCCR5HRH3
SCHEMBL2815941 0.83 CYP3A4 (0.50)

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 GPR119 698/4885MCHR1 363/4885KDM4D 1153/4885

“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.