SCHEMBL2374081

SCHEMBL2374081

O=C([C@H](Cc1ccccc1)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C\c1ccc(C(F)(F)F)cc1)N1CCC(CN2CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
KCNH2 Q12809 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 1/20 0.36
NPY2R P49146 1/20 0.35
GAA P10253 1/20 0.35
UBE2M P61081 3/20 0.35
DCUN1D1 Q96GG9 3/20 0.35
MTTP P55157 3/20 0.34
CCR2 P41597 1/20 0.34
F2 P00734 1/20 0.34
OPRD1 P41143 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTR1D P28221 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
SCHEMBL2374084 1.00 HRH3 (0.39) HRH3KCNH2KDM2BDPP4DPP7
SCHEMBL2374089 1.00 HRH3 (0.39) HRH3KCNH2KDM2BDPP4DPP7
SCHEMBL2374067 0.92 LMNA (0.41) DPP4DPP7GAAHTR2B
SCHEMBL2374059 0.92 LMNA (0.41) DPP4DPP7GAAHTR2B
SCHEMBL2374063 0.92 LMNA (0.41) DPP4DPP7GAAHTR2B
SCHEMBL2374649 0.89 DPP4 (0.39) HRH3KCNH2DPP4DPP7NPY2R
SCHEMBL2374659 0.89 DPP4 (0.39) HRH3KCNH2DPP4DPP7NPY2R
SCHEMBL2374654 0.89 DPP4 (0.39) HRH3KCNH2DPP4DPP7NPY2R
SCHEMBL2337691 0.87 HRH3 (0.38) HRH3KCNH2KDM2BDPP4DPP7
SCHEMBL1362750 0.87 SIGMAR1 (0.42) NPY2RDRD2HTR2AHTR2CHTR2B

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US claimed
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 HRH3 302/4885KCNH2 4177/4885KDM2B 2049/4885

“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.