SCHEMBL784313

SCHEMBL784313

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCN(c2ccnc(N3CCCC3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GBA1 P04062 2/20 0.40
TAS1R3 Q7RTX0 5/20 0.38
TAS1R1 Q7RTX1 5/20 0.38
TAS1R2 Q8TE23 4/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
WDR5 P61964 4/20 0.38
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SPTLC2 O15270 1/20 0.35
CTSS P25774 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
SCHEMBL784608 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1GBA1TAS1R3
SCHEMBL784086 0.91 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL785880 0.91 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL784165 0.91 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL803747 0.90 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL785562 0.90 ALDH1A1 (0.40) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL785235 0.90 ALDH1A1 (0.40) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL784890 0.89 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL784587 0.89 CCNC (0.41) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL785893 0.89 ALDH1A1 (0.39) MEN1KMT2AALDH1A1TAS1R3TAS1R1

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 6 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
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 2222/4885ALDH1A1 1267/4885

“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.