SCHEMBL785705

SCHEMBL785705

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cccc(Cl)c1Cl)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.41
TAS1R1 Q7RTX1 5/20 0.41
TAS1R2 Q8TE23 4/20 0.41
RIPK1 Q13546 1/20 0.39
F10 P00742 3/20 0.38
CTSS P25774 1/20 0.38
P2RX7 Q99572 1/20 0.37
WDR5 P61964 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ROCK2 O75116 1/20 0.36
BDKRB1 P46663 1/20 0.36
JAK2 O60674 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
SCHEMBL784955 0.95 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2F10CTSS
SCHEMBL785681 0.94 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2RIPK1F10
SCHEMBL784261 0.94 ALDH1A1 (0.43) TAS1R3TAS1R1TAS1R2F10CTSS
SCHEMBL777867 0.94 ALDH1A1 (0.43) TAS1R3TAS1R1TAS1R2F10CTSS
SCHEMBL784081 0.94 ALDH1A1 (0.43) TAS1R3TAS1R1TAS1R2F10CTSS
SCHEMBL784218 0.91 SLC6A9 (0.40) TAS1R3TAS1R1TAS1R2F10CTSS
SCHEMBL785754 0.91 ALDH1A1 (0.43) TAS1R3TAS1R1TAS1R2CTSSWDR5
SCHEMBL785440 0.91 CTSS (0.38) TAS1R3TAS1R1TAS1R2F10CTSS
SCHEMBL785213 0.90 WDR5 (0.41) TAS1R3TAS1R1TAS1R2F10CTSS
SCHEMBL784203 0.89 ALDH1A1 (0.51) TAS1R3TAS1R1TAS1R2CTSSMEN1

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 claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
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 TAS1R3 202/4885TAS1R1 75/4885TAS1R2 163/4885

“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.