SCHEMBL803442

SCHEMBL803442

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCc3ccccc31)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
P2RX7 Q99572 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAOK3 Q9H2K8 2/20 0.40
TAOK1 Q7L7X3 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 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
SCHEMBL784378 1.00 CTSS (0.42) CTSSP2RX7MAPTSMN1; SMN2TAOK3
SCHEMBL785421 1.00 CTSS (0.42) CTSSP2RX7MAPTSMN1; SMN2TAOK3
SCHEMBL784775 0.96 P2RX7 (0.39) CTSSP2RX7MAPTSMN1; SMN2TAOK3
SCHEMBL785390 0.88 P2RX7 (0.38) CTSSP2RX7TAOK3MAPK1
SCHEMBL784410 0.87 POLB (0.41) CTSSPOLB
SCHEMBL784957 0.87 CTSS (0.43) CTSSMAPTSMN1; SMN2TAOK3TAOK1
SCHEMBL785875 0.87 MCHR1 (0.39) CTSSPOLB
SCHEMBL784304 0.86 POLB (0.42) CTSSPOLB
SCHEMBL785767 0.85 CTSS (0.42) CTSSMAPTSMN1; SMN2TAOK3TAOK1
SCHEMBL785446 0.85 CTSS (0.52) CTSSLMNAPOLBALDH1A1KDM4E

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 disclosed
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
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 824/4885P2RX7 140/4885MAPT 3149/4885

“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.