SCHEMBL784402

SCHEMBL784402

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
TAS1R2 Q8TE23 2/20 0.39
WDR5 P61964 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
F10 P00742 2/20 0.36
SPTLC2 O15270 2/20 0.35
HPGDS O60760 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CNR1 P21554 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
SCHEMBL785440 0.94 CTSS (0.38) CTSSTAS1R3TAS1R1TAS1R2WDR5
SCHEMBL784715 0.92 F10 (0.40) CTSSWDR5MEN1KMT2AF10
SCHEMBL783987 0.91 WDR5 (0.40) CTSSWDR5F10USP30
SCHEMBL784261 0.90 ALDH1A1 (0.43) CTSSALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL784081 0.90 ALDH1A1 (0.43) CTSSALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL777867 0.90 ALDH1A1 (0.43) CTSSALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL784649 0.90 TAS1R3 (0.41) CTSSTAS1R3TAS1R1JAK2JAK1
SCHEMBL785494 0.90 CRHR1 (0.40) CTSSWDR5JAK2JAK1
SCHEMBL785363 0.89 WDR5 (0.37) CTSSWDR5F10
SCHEMBL785530 0.89 JAK2 (0.37) CTSSJAK2JAK1F10USP30

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 CTSS 824/4885ALDH1A1 1267/4885TAS1R3 202/4885

“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.