SCHEMBL558393

SCHEMBL558393

COc1[c]nc2ccccc2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 3/20 0.35
EGFR P00533 2/20 0.35
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
GPR3 P46089 1/20 0.34
LMNA P02545 4/20 0.34
MPO P05164 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NQO2 P16083 2/20 0.33
MERTK Q12866 1/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33

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
SCHEMBL9163042 0.81 POLB (0.55) POLBALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL1986163 0.76 GPR3 (0.39) POLBALDH1A1CYP1A2SMN1; SMN2KDM4E
SCHEMBL7449092 0.75 ALDH1A1 (0.37) POLBALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL558392 0.74 POLB (0.55) POLBALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL7111055 0.74 MAPT (0.45) POLBALDH1A1CYP1A2SMN1; SMN2KDM4E
SCHEMBL740449 0.73 KMT2A (0.40) POLBALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL7455270 0.72 KDM4E (0.40) POLBALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL7112453 0.70 CYP3A4 (0.39) POLBALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL7114136 0.70 BRD4 (0.37) POLB
SCHEMBL7108698 0.70 RAB9A (0.38) POLBCYP1A2MEN1NPC1RAB9A

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 50 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-2493894-A1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP 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
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-2855471-B1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-11-15 EP disclosed
US-9458179-B2 Quinuclidine, 1-azabicyclo[2.2.1]heptane, 1-azabicyclo [3.2.1]octane, and 1-azabicyclo[3.2.2]nonane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO 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 (4 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 POLB 2083/4885ALDH1A1 1082/4885CYP1A2 2027/4885
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 POLB 1439/4885ALDH1A1 531/4885CYP1A2 593/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 POLB 2083/4885ALDH1A1 1082/4885CYP1A2 2027/4885
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA6, CHRNA5 POLB 1135/4885ALDH1A1 1011/4885CYP1A2 2143/4885

“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.