SCHEMBL7589962

SCHEMBL7589962

Cc1cccc(-c2ccsc2C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
CHRNA7 P36544 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
CHRM3 P20309 5/20 0.36
DRD4 P21917 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 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
SCHEMBL7596316 0.80 CHRNB2 (0.51) HSD17B10CHRNA7KMT2AMEN1CHRNB2
SCHEMBL7692431 0.78 CHRNA7 (0.52) CHRNA7ALDH1A1MAPTRXFP1RAB9A
SCHEMBL7126424 0.77 HDAC1 (0.46) CHRNA7MAPTRXFP1CHRNB2CHRNA4
SCHEMBL7129660 0.76 CHRNA7 (0.38) CHRNA7ALDH1A1CHRM3KMT2AMEN1
SCHEMBL7062241 0.76 CHRNB2 (0.50) CHRNA7ALDH1A1MAPTKMT2AMEN1
SCHEMBL7118213 0.76 CHRNA7 (0.42) CHRNA7ALDH1A1CHRM3RXFP1KMT2A
SCHEMBL7125795 0.76 USP30 (0.43) CHRNA7ALDH1A1MAPTKMT2AMEN1
SCHEMBL7654015 0.75 FPR2 (0.38) HSD17B10ALDH1A1
SCHEMBL7220020 0.74 HDAC1 (0.49) CHRNA7CHRNB2CHRNA4
SCHEMBL5955656 0.73 CHRNA7 (0.39) CHRNA7ALDH1A1MAPTRXFP1KMT2A

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 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-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 HSD17B10 346/4885CHRNA7 28/4885ALDH1A1 267/4885

“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.