SCHEMBL7589063

SCHEMBL7589063

C[C@H]1[C@H](NC(=O)C2(C)C=CC(c3cccs3)S2)C2CCN1CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.34
CHRNA7 P36544 2/20 0.34
BRDT Q58F21 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33
HSD11B1 P28845 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRM3 P20309 4/20 0.31
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7062104 0.72 ALDH1A1 (0.35) BRD4ALDH1A1MEN1LMNAMAPT
SCHEMBL7062638 0.71 BRD4 (0.37) BRD4BRDTGAAALDH1A1MEN1
SCHEMBL7589070 0.71 CHRNA7 (0.37) CHRNA7NPC1RAB9AHSD11B1GAA
SCHEMBL7547869 0.67 CHRM3 (0.49) CHRNA7CHRM3CHRM2CHRM1
SCHEMBL7063504 0.67 S1PR4 (0.49) CHRNA7NPC1RAB9APOLBALDH1A1
SCHEMBL7217919 0.66 CHRNA7 (0.63) CHRNA7NPC1RAB9APOLBGAA
SCHEMBL5954789 0.65 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4
SCHEMBL7122933 0.65 CHRNA7 (0.49) CHRNA7NPC1RAB9AALDH1A1CHRNB2
SCHEMBL6883327 0.65 CHRNA7 (0.43) CHRNA7ALDH1A1CHRNB2CHRNA4
SCHEMBL6885115 0.65 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed

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-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 BRD4 1896/4885CHRNA7 28/4885BRDT 1496/4885

“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.