SCHEMBL784902

SCHEMBL784902

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cccc(C(F)(F)F)c1Cl)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
TAS1R3 Q7RTX0 7/20 0.38
TAS1R1 Q7RTX1 7/20 0.38
TAS1R2 Q8TE23 7/20 0.38
SLC6A9 P48067 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SLC2A1 P11166 1/20 0.37
WDR5 P61964 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PDK2 Q15119 1/20 0.36
AURKA O14965 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL784218 0.96 SLC6A9 (0.40) CTSSTAS1R3TAS1R1TAS1R2SLC6A9
SCHEMBL784955 0.91 TAS1R3 (0.44) CTSSTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL784793 0.90 TAS1R3 (0.45) CTSSTAS1R3TAS1R1TAS1R2TRPV1
SCHEMBL785316 0.88 CTSS (0.42) CTSSTRPV1ALDH1A1SLC2A1WDR5
SCHEMBL784203 0.88 ALDH1A1 (0.51) CTSSTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL27902569 0.88 WDR5 (0.40) CTSSSLC2A1WDR5PDK2AURKA
SCHEMBL785552 0.88 WDR5 (0.40) CTSSSLC2A1WDR5PDK2AURKA
SCHEMBL784227 0.88 ALDH1A1 (0.51) CTSSTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL784439 0.87 SLC6A9 (0.40) SLC6A9PDK2
SCHEMBL785312 0.87 P2RX7 (0.39) SLC6A9PDK2

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 claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
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

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 CTSS 824/4885TAS1R3 202/4885TAS1R1 75/4885

“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.