SCHEMBL785229

SCHEMBL785229

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.36
HCRTR2 O43614 9/20 0.36
PRMT3 O60678 1/20 0.36
F10 P00742 2/20 0.35
WDR5 P61964 1/20 0.35
CTSS P25774 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MCHR1 Q99705 2/20 0.34
SMYD3 Q9H7B4 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 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) PRMT3F10CTSSJAK2JAK1
SCHEMBL785608 0.90 MCHR1 (0.39) HCRTR1HCRTR2F10MCHR1POLB
SCHEMBL785344 0.89 PSMB11 (0.36) PRMT3F10WDR5CTSSJAK2
SCHEMBL785442 0.89 PRMT3 (0.36) PRMT3F10WDR5CTSSJAK2
SCHEMBL784656 0.88 ABL1 (0.40) PRMT3F10WDR5CTSSSMYD3
SCHEMBL784513 0.87 PRMT3 (0.38) PRMT3F10WDR5CTSSSMYD3
SCHEMBL803496 0.86 GPR119 (0.37) PRMT3F10WDR5CTSSJAK2
SCHEMBL785215 0.86 CTSS (0.41) PRMT3F10WDR5CTSSSMYD3
SCHEMBL784170 0.86 HCRTR1 (0.40) HCRTR1HCRTR2F10WDR5JAK2
SCHEMBL785020 0.85 POLB (0.38) PRMT3WDR5CTSSJAK2JAK1

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 HCRTR1 214/4885HCRTR2 500/4885PRMT3 2202/4885

“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.