SCHEMBL784916

SCHEMBL784916

CC(C)CC(=O)N(C(C)C)[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccnc(N(C)C)n4)CC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.35
POLB P06746 1/20 0.35
DRD2 P14416 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
IDH1 O75874 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
PDK2 Q15119 2/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL784199 0.86 F10 (0.36) POLBDRD2ADORA2AADORA1TLR9
SCHEMBL785043 0.81 POLB (0.40) ACACBPOLBDRD2
SCHEMBL785580 0.77 F10 (0.41) POLBDRD2TLR9TLR8TLR7
SCHEMBL785283 0.77 TLR9 (0.43) POLBDRD2ADORA2AADORA1TLR9
SCHEMBL785318 0.76 POLB (0.40) ACACBPOLBDRD2
SCHEMBL27920407 0.75 CA12 (0.40) POLBDRD2
SCHEMBL784259 0.74 POLB (0.37) ACACBPOLBDRD2HRH3
SCHEMBL785880 0.73 ALDH1A1 (0.41) JAK2JAK1
SCHEMBL784165 0.73 ALDH1A1 (0.41) JAK2JAK1
SCHEMBL785253 0.73 DRD3 (0.40)

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 7 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-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 ACACB 3318/4885POLB 3355/4885DRD2 64/4885

“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.