SCHEMBL785879

SCHEMBL785879

CN(C(=O)NC1CCCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAOK3 Q9H2K8 2/20 0.37
TAOK1 Q7L7X3 1/20 0.37
F10 P00742 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CCR5 P51681 1/20 0.35
MAPK1 P28482 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
SCHEMBL785136 0.95 F10 (0.38) CTSSF10JAK2JAK1TAS1R3
SCHEMBL785033 0.92 F10 (0.41) CTSSMAPTSMN1; SMN2F10MEN1
SCHEMBL785594 0.89 F10 (0.38) F10JAK2JAK1TAS1R3TAS1R1
SCHEMBL784203 0.88 ALDH1A1 (0.51) CTSSTAOK3TAOK1MEN1KMT2A
SCHEMBL784227 0.88 ALDH1A1 (0.51) CTSSTAOK3TAOK1MEN1KMT2A
SCHEMBL785511 0.86 TAS1R3 (0.52) CTSSMAPTSMN1; SMN2TAOK3TAOK1
SCHEMBL784909 0.86 F10 (0.37) F10JAK2JAK1ALDH1A1CCR5
SCHEMBL785530 0.86 JAK2 (0.37) CTSSF10JAK2JAK1
SCHEMBL784693 0.86 F10 (0.38) F10JAK2JAK1CCR5
SCHEMBL785326 0.85 F10 (0.38) CTSSF10JAK2JAK1TAS1R3

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 824/4885MAPT 3149/4885SMN1; SMN2 2971/4885

“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.