SCHEMBL468161

SCHEMBL468161

COc1ccc(-c2nccs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.55
ADRB2 P07550 1/20 0.54
SMPD3 Q9NY59 1/20 0.53
FBP1 P09467 1/20 0.51
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
MGAM O43451 2/20 0.49
GAA P10253 2/20 0.49
SI P14410 2/20 0.49
MGAM2 Q2M2H8 2/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP19A1 P11511 1/20 0.47

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
Hydrochloric Acid SCHEMBL27523094 0.98 PDPK1 (0.55) PDPK1LOXL2ADRB2SMPD3FBP1
SCHEMBL2289463 0.95 PDPK1 (0.52) PDPK1LOXL2ADRB2SMPD3FBP1
SCHEMBL8557496 0.89 APP (0.53) PDPK1LOXL2ADRB2NPC1RAB9A
SCHEMBL27630903 0.87 ADRB2 (0.48) PDPK1LOXL2ADRB2SMPD3FBP1
SCHEMBL28579042 0.84 PDPK1 (0.61) PDPK1LOXL2ADRB2SMPD3ABL1
SCHEMBL722198 0.83 PDPK1 (0.77) PDPK1LOXL2ADRB2SMPD3ABL1
SCHEMBL577583 0.82 GABRA1 (0.44) PDPK1LOXL2ADRB2SMPD3FBP1
SCHEMBL4720884 0.81 LOXL2 (0.56) PDPK1LOXL2ADRB2NPC1RAB9A
SCHEMBL31051081 0.81 MAPT (0.47) CLK4NPC1RAB9ACYP19A1MAPT
SCHEMBL29356666 0.81 LOXL2 (0.51) PDPK1LOXL2ADRB2SMPD3ABL1

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 254 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP claimed
EP-2493894-B1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-29 EP claimed
EP-2493893-B1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP claimed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US claimed
US-8278320-B2 Azabicyclo[2.2.1]heptane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US claimed
EP-2493893-A1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP claimed
EP-2493894-A1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP claimed
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US claimed
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 US claimed
WO-2011056503-A1 AZABICYCLO[2.2.1] HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-12 WO claimed
WO-2011056573-A1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-12 WO claimed
EP-2271650-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2011-01-12 EP claimed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US claimed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US claimed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US claimed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO claimed
EP-0404440-A2 Substituted sulfonamides and related compounds in the treatment of asthma, arthritis, and related diseases PFIZER INC. (US) 1990-12-27 EP claimed
US-20250376452-A1 17-Beta-Hydroxysteroid Dehydrogenase Type 13 Inhibitors and Methods of Use Thereof ENANTA PHARM INC (US) 2025-12-11 US disclosed
CN-1043936-A Thiazolium compounds and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1990-07-18 CN disclosed
EP-0190512-A2 Positive image forming method KONICA CORPORATION (JP) 1986-08-13 EP 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 (5 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 PDPK1 1859/4885LOXL2 4093/4885ADRB2 91/4885
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 PDPK1 1530/4885LOXL2 4152/4885ADRB2 68/4885
US-20250376452-A1 17-Beta-Hydroxysteroid Dehydrogenase Type 13 Inhibitors and Methods of Use Thereof HSD17B1, HSD17B13, HSD17B3 PDPK1 1217/4885LOXL2 3518/4885ADRB2 1717/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 PDPK1 1859/4885LOXL2 4093/4885ADRB2 91/4885
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA6, CHRNA5 PDPK1 2075/4885LOXL2 4105/4885ADRB2 153/4885

“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.