SCHEMBL784158

SCHEMBL784158

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
CRHR1 P34998 10/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
PDE2A O00408 1/20 0.39
SLC2A1 P11166 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DHODH Q02127 1/20 0.38
PDK2 Q15119 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
SCHEMBL785238 0.96 JAK2 (0.41) CRHR1JAK2JAK1TYK2PDK2
SCHEMBL784390 0.92 CTSS (0.42) CTSSSLC2A1TRPV1ALDH1A1
SCHEMBL784227 0.89 ALDH1A1 (0.51) CTSSALDH1A1
SCHEMBL784203 0.89 ALDH1A1 (0.51) CTSSALDH1A1
SCHEMBL785134 0.89 TRPV1 (0.44) CTSSSLC2A1TRPV1ALDH1A1
SCHEMBL784904 0.87 F10 (0.40) CTSS
SCHEMBL785855 0.87 JAK2 (0.40) CRHR1JAK2JAK1TYK2PDK2
SCHEMBL785494 0.87 CRHR1 (0.40) CTSSCRHR1JAK2JAK1TYK2
SCHEMBL784449 0.86 F10 (0.43) CTSSJAK2JAK1TYK2
SCHEMBL784902 0.86 CTSS (0.41) CTSSSLC2A1TRPV1ALDH1A1PDK2

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 824/4885CRHR1 250/4885JAK2 1298/4885

“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.