SCHEMBL784880

SCHEMBL784880

COc1ncccc1C(=O)N[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccccn4)CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR6 P46095 7/20 0.43
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ROCK2 O75116 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL784366 0.90 MEN1 (0.46) MEN1KMT2AGPR6PDE4APDE4B
SCHEMBL784826 0.88 MEN1 (0.44) MEN1KMT2ATAS1R3TAS1R1ALDH1A1
SCHEMBL785289 0.80 ALDH1A1 (0.41) MEN1KMT2ATAS1R3TAS1R1ALDH1A1
SCHEMBL803539 0.79 MEN1 (0.52) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL785708 0.79 MEN1 (0.52) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL785939 0.79 MEN1 (0.52) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL785107 0.79 WDR5 (0.37) MEN1KMT2AGPR6ALDH1A1ROCK2
SCHEMBL784383 0.79 TAS1R3 (0.41) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL784890 0.79 ALDH1A1 (0.41) MEN1KMT2AKCNH2TAS1R3TAS1R1
SCHEMBL784165 0.78 ALDH1A1 (0.41) MEN1KMT2ATAS1R3TAS1R1ALDH1A1

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 2 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-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 MEN1 2563/4885KMT2A 2222/4885GPR6 373/4885

“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.