SCHEMBL7545758

SCHEMBL7545758

COc1cccc(-c2csc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
USP30 Q70CQ3 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 3/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39

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 0.87 CHRNB2 (0.51) CHRNB2CHRNA4USP30SMN1; SMN2KMT2A
SCHEMBL7064097 0.87 CHRNB2 (0.61) CHRNB2CHRNA4USP30SMN1; SMN2MMP12
SCHEMBL7595540 0.86 CHRNB2 (0.50) CHRNB2CHRNA4NPC1RAB9AUSP30
SCHEMBL7060459 0.84 HDAC6 (0.50) CHRNB2CHRNA4HSD17B1HSD17B2NPC1
SCHEMBL7125007 0.82 HDAC3 (0.49) CHRNB2CHRNA4HSD17B1HSD17B2NPC1
SCHEMBL7688113 0.81 CHRNA7 (0.56) CHRNA7
SCHEMBL7126550 0.80 ALDH1A1 (0.40) CHRNB2CHRNA4NPC1RAB9AALDH1A1
SCHEMBL7063822 0.80 CHRNB2 (0.49) CHRNB2CHRNA4NPC1RAB9AUSP30
SCHEMBL7118680 0.79 HDAC1 (0.49) CHRNB2CHRNA4HSD17B1HSD17B2NPC1
SCHEMBL7062392 0.78 MTNR1A (0.40) CHRNB2CHRNA4ALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US claimed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US disclosed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
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 (3 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-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 CHRNB2 589/4885CHRNA4 602/4885HSD17B1 68/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 CHRNB2 557/4885CHRNA4 549/4885HSD17B1 110/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 CHRNB2 589/4885CHRNA4 602/4885HSD17B1 68/4885

“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.