SCHEMBL863944

SCHEMBL863944

CCCCCC(c1ccccc1)c1c[c]ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
HTR2A P28223 3/20 0.39
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
HRH1 P35367 2/20 0.36
CYP1A2 P05177 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
Bromide SCHEMBL11538778 0.79 SLC6A2 (0.59) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL28193271 0.78 CHRM2 (0.41) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL20385529 0.76 SLC6A2 (0.64) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL81907 0.75 SIGMAR1 (0.64) CHRM2SLC6A2SLC6A4SIGMAR1HTR2A
SCHEMBL864255 0.75 SIGMAR1 (0.41) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL9115927 0.74 SIGMAR1 (0.51) SIGMAR1HTR2AALDH1A1CYP19A1HRH1
SCHEMBL28569942 0.73 CHRM2 (0.52) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL28569939 0.73 CHRM2 (0.52) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL28111618 0.73 SIGMAR1 (0.46) CHRM2SLC6A2SLC6A4SIGMAR1HTR2A
SCHEMBL8100113 0.73 SIGMAR1 (0.62) SIGMAR1HTR2ACYP19A1HRH1

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-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 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-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE CHRM2 3131/4885SLC6A2 3777/4885SLC6A4 3865/4885

“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.