SCHEMBL785199

SCHEMBL785199

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cncnc1)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.47
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 3/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.39
TAOK3 Q9H2K8 2/20 0.38
TAOK1 Q7L7X3 1/20 0.38
WDR5 P61964 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL784472 0.95 CTSS (0.41) CTSSALDH1A1TSHRPOLBWDR5
SCHEMBL784342 0.95 CTSS (0.41) CTSSALDH1A1TSHRPOLBWDR5
SCHEMBL785734 0.89 CTSS (0.44) CTSSALDH1A1POLBKDM4ETAOK3
SCHEMBL784149 0.88 ROCK2 (0.38) CTSSALDH1A1TSHRPOLBTAS1R3
SCHEMBL784957 0.87 CTSS (0.43) CTSSALDH1A1TSHRPOLBLMNA
SCHEMBL785228 0.87 TAS1R3 (0.50) CTSSALDH1A1TSHRPOLBTAS1R3
SCHEMBL785316 0.86 CTSS (0.42) CTSSALDH1A1TSHRPOLBKDM4E
SCHEMBL785767 0.86 CTSS (0.42) CTSSALDH1A1TSHRPOLBLMNA
SCHEMBL784203 0.85 ALDH1A1 (0.51) CTSSALDH1A1TSHRPOLBTAS1R3
SCHEMBL785215 0.85 CTSS (0.41) CTSSALDH1A1TSHRWDR5

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 1267/4885TSHR 586/4885

“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.