SCHEMBL785873

SCHEMBL785873

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
HTR1A P08908 3/20 0.39
HTR2A P28223 3/20 0.39
KCNH2 Q12809 3/20 0.39
SMYD3 Q9H7B4 1/20 0.38
F10 P00742 4/20 0.36
PRMT3 O60678 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CTSS P25774 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MCHR1 Q99705 1/20 0.34
NPY5R Q15761 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
ADAMTS5 Q9UNA0 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
SCHEMBL784513 0.91 PRMT3 (0.38) SMYD3F10PRMT3CTSS
SCHEMBL785229 0.90 HCRTR1 (0.36) SMYD3F10PRMT3CTSSJAK2
SCHEMBL785344 0.90 PSMB11 (0.36) DRD2SMYD3F10PRMT3CCNC
SCHEMBL785442 0.90 PRMT3 (0.36) SMYD3F10PRMT3CCNCCDK8
SCHEMBL784656 0.88 ABL1 (0.40) DRD2HTR1AHTR2AKCNH2SMYD3
SCHEMBL785319 0.87 F10 (0.39) DRD2F10PRMT3JAK2JAK1
SCHEMBL785215 0.87 CTSS (0.41) DRD2HTR1AHTR2AKCNH2SMYD3
SCHEMBL784494 0.86 F10 (0.39) DRD2KCNH2F10PRMT3JAK2
SCHEMBL785020 0.86 POLB (0.38) PRMT3CTSSJAK2JAK1
SCHEMBL784473 0.86 DRD2 (0.42) DRD2HTR1AHTR2AKCNH2F10

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 DRD2 64/4885HTR1A 94/4885HTR2A 475/4885

“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.