SCHEMBL10272932

SCHEMBL10272932

CCc1cc2ccc(Br)cc2cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
ABL1 P00519 1/20 0.41
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BACE1 P56817 2/20 0.39
GBA1 P04062 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSK3A P49840 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL12963913 0.93 GSK3A (0.42) CYP2A6ABL1MEN1MAPTKMT2A
SCHEMBL30718639 0.81 ABL1 (0.44) CYP2A6ABL1MEN1MAPTKMT2A
SCHEMBL2226466 0.81 ABL1 (0.44) CYP2A6ABL1MEN1MAPTKMT2A
SCHEMBL803215 0.79 CYP1A2 (0.53) CYP2A6ABL1MEN1KMT2AALDH1A1
SCHEMBL1641540 0.79 ABL1 (0.42) CYP2A6ABL1MEN1MAPTKMT2A
SCHEMBL10272520 0.78 CYP2A6 (0.42) CYP2A6ABL1MEN1KMT2ALMNA
SCHEMBL2226121 0.77 ABL1 (0.41) CYP2A6ABL1MEN1MAPTKMT2A
SCHEMBL19792374 0.77 MEN1 (0.37) CYP2A6ABL1MEN1MAPTKMT2A
SCHEMBL873512 0.76 CYP1A2 (0.54) CYP2A6KDM4EL3MBTL1CYP1A2PDE10A
SCHEMBL19792367 0.76 CYP2A6 (0.46) CYP2A6ABL1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 US disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 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 (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-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CYP2A6 2357/4885ABL1 2144/4885MEN1 3838/4885
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY CYP2A6 987/4885ABL1 3680/4885MEN1 988/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY CYP2A6 987/4885ABL1 3680/4885MEN1 988/4885
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 CYP2A6 4081/4885ABL1 3109/4885MEN1 4398/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CYP2A6 2357/4885ABL1 2144/4885MEN1 3838/4885

“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.