SCHEMBL784600

SCHEMBL784600

CN(CC1CCN(c2ccncn2)CC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.49
RIPK1 Q13546 1/20 0.45
LSS P48449 1/20 0.43
SORD Q00796 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
TAF1 P21675 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
CHRM4 P08173 1/20 0.40
CYP2D6 P10635 1/20 0.40
DPP4 P27487 1/20 0.40
KCNH2 Q12809 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
AKT1 P31749 1/20 0.39
GRM1 Q13255 1/20 0.39
F10 P00742 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.38
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL19658777 0.90 GPR119 (0.49) GPR119RIPK1LSSSORDGPBAR1
SCHEMBL19652205 0.87 GPR119 (0.47) GPR119RIPK1LSSSORDGPBAR1
SCHEMBL803360 0.84 GPR119 (0.60) GPR119RIPK1LSSSORDGPBAR1
SCHEMBL785732 0.81 GPR119 (0.52) GPR119RIPK1LSSSORDTAF1
SCHEMBL13745108 0.78 GPR119 (0.52) GPR119RIPK1LSSSORDGPBAR1
SCHEMBL27920414 0.77 GPR119 (0.48) GPR119RIPK1LSSSORDGPBAR1
Hydrochloric Acid SCHEMBL2948979 0.77 GPR119 (0.51) GPR119RIPK1LSSSORDGPBAR1
SCHEMBL12424487 0.77 GPR119 (0.49) GPR119RIPK1LSSSORDGPBAR1
SCHEMBL16597339 0.77 SORD (0.56) GPR119RIPK1LSSSORDGPBAR1
SCHEMBL803304 0.76 ROCK2 (0.50) GPR119RIPK1LSSSORDGPBAR1

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
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP 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

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 698/4885RIPK1 4084/4885LSS 4086/4885

“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.