SCHEMBL703149

SCHEMBL703149

COC(=O)c1cccc2c1c(CC=O)cn2Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.44
APP P05067 1/20 0.43
SNCA P37840 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
P2RX7 Q99572 1/20 0.42
DRD2 P14416 1/20 0.41
HTR6 P50406 1/20 0.41
MAPK1 P28482 1/20 0.41
NR4A2 P43354 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL1080227 0.90 CHRM1 (0.47) PLA2G2AP2RX7HTR6LMNAMTNR1A
SCHEMBL699995 0.84 APP (0.50) PLA2G2AAPPSNCACA12CA1
SCHEMBL31668287 0.82 P2RX7 (0.47) PLA2G2AAPPSNCACA12CA1
SCHEMBL703569 0.81 NR4A2 (0.49) L3MBTL1NR4A2ALDH1A1LMNA
SCHEMBL13387413 0.80 CHRM1 (0.45) PLA2G2AP2RX7HTR6LMNAMTNR1A
SCHEMBL702596 0.78 MEN1 (0.58) DRD2HTR6NR4A2LMNAHDAC10
SCHEMBL701364 0.76 SLC16A3 (0.43) L3MBTL1P2RX7ALDH1A1
SCHEMBL9484308 0.76 MAPT (0.63) APPSNCACA12CA1CA2
SCHEMBL9484312 0.76 MAPT (0.63) APPSNCACA12CA1CA2
SCHEMBL14784861 0.75 PTGER1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710047-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-21 US disclosed
CN-102046176-B 5-HT3Receptor modulators, methods of preparation and uses thereof ALBANY MOLECULAR RES INC 2013-08-07 CN disclosed
US-8501729-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-08-06 US disclosed
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-30 US disclosed
US-8124600-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-28 US disclosed
CN-102046176-A 5-HT3Receptor modulators, methods of preparation and uses thereof ALBANY MOLECULAR RES INC 2011-05-04 CN disclosed
EP-2310019-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2011-04-20 EP disclosed
WO-2009155054-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-23 WO disclosed
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-03 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-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B PLA2G2A 1013/4885APP 4820/4885SNCA 4576/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B PLA2G2A 1013/4885APP 4820/4885SNCA 4576/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B PLA2G2A 1013/4885APP 4820/4885SNCA 4576/4885

“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.