SCHEMBL785442

SCHEMBL785442

CC(C)CC(=O)NC1CCc2ccc(C(=O)N(C)C3CCN(c4ccc5cnccc5c4)CC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
F10 P00742 3/20 0.35
CTSS P25774 1/20 0.35
MRGPRX2 Q96LB1 1/20 0.35
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 1/20 0.34
PSMA2 P25787 1/20 0.34
PSMA3 P25788 1/20 0.34
PSMA4 P25789 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB9 P28065 1/20 0.34
PSMA5 P28066 1/20 0.34
PSMB4 P28070 1/20 0.34
PSMB6 P28072 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB10 P40306 1/20 0.34

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
SCHEMBL785873 0.90 DRD2 (0.39) PRMT3JAK2JAK1F10CTSS
SCHEMBL785736 0.90 CCR5 (0.39) JAK2JAK1F10CTSSPSMB11
SCHEMBL784956 0.90 CCR5 (0.39) JAK2JAK1F10CTSSPSMB11
SCHEMBL785344 0.89 PSMB11 (0.36) PRMT3JAK2JAK1F10CTSS
SCHEMBL785229 0.89 HCRTR1 (0.36) PRMT3JAK2JAK1F10CTSS
SCHEMBL784656 0.88 ABL1 (0.40) PRMT3F10CTSSSMYD3NPY5R
SCHEMBL784513 0.87 PRMT3 (0.38) PRMT3F10CTSSPSMB11PSMA7
SCHEMBL785215 0.86 CTSS (0.41) PRMT3F10CTSSSMYD3WDR5
SCHEMBL783606 0.86 TLR9 (0.42) JAK2JAK1F10CTSSMRGPRX2
SCHEMBL785020 0.85 POLB (0.38) PRMT3JAK2JAK1CTSSWDR5

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 PRMT3 2202/4885JAK2 1298/4885JAK1 1517/4885

“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.