SCHEMBL7122463

SCHEMBL7122463

CC(=O)Nc1csc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.36
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ALOX5 P09917 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
EZH2 Q15910 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
PANK3 Q9H999 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
ABL1 P00519 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7121221 0.87 ALOX5 (0.38) CHRNA7SLC6A4SLC6A2SLC6A3ALOX5
SCHEMBL7117116 0.87 CHRNA7 (0.42) CHRNA7SLC6A4SLC6A2SLC6A3NPSR1
SCHEMBL7115174 0.86 CHRNA7 (0.36) CHRNA7SLC6A4SLC6A2SLC6A3ALOX5
SCHEMBL7113625 0.84 CHRNA7 (0.36) CHRNA7SLC6A4SLC6A2SLC6A3EZH2
SCHEMBL7120734 0.83 GAA (0.35) CHRNA7SLC6A4SLC6A2SLC6A3HSD17B10
SCHEMBL7116046 0.83 CHRNA7 (0.43) CHRNA7HSD17B10SMYD3EZH2ALDH1A1
SCHEMBL7123857 0.83 SLC6A2 (0.37) CHRNA7SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL7124891 0.83 CHRNA7 (0.38) CHRNA7SLC6A4SLC6A2SLC6A3SMYD3
SCHEMBL7114485 0.82 CHRNA7 (0.35) CHRNA7SLC6A4SLC6A2SLC6A3SMYD3
SCHEMBL7120666 0.82 ITK (0.42)

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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 CHRNA7 397/4885SLC6A4 2137/4885SLC6A2 1156/4885

“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.