SCHEMBL701990

SCHEMBL701990

COC(=O)c1cccc2c1c(CC=O)cn2-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NR4A2 P43354 1/20 0.43
ALDH1A1 P00352 6/20 0.41
ABCB1 P08183 6/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
METTL3 Q86U44 1/20 0.38
METTL14 Q9HCE5 1/20 0.38

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
SCHEMBL12070631 0.86 SCN9A (0.55) SCN9AKMT2AMEN1NR4A2ALDH1A1
SCHEMBL700424 0.83 ALDH1A1 (0.55) SCN9AKMT2AMEN1NR4A2ALDH1A1
SCHEMBL703569 0.80 NR4A2 (0.49) KMT2AMEN1NR4A2ALDH1A1KDM4E
SCHEMBL12070635 0.78 SCN9A (0.81) SCN9A
SCHEMBL12070633 0.76 SCN9A (0.52) SCN9AKMT2AMEN1NR4A2ALDH1A1
SCHEMBL702596 0.75 MEN1 (0.58) KMT2AMEN1NR4A2SMN1; SMN2LMNA
SCHEMBL703149 0.74 PLA2G2A (0.44) NR4A2ALDH1A1LMNA
SCHEMBL700949 0.74 SCN9A (0.40) SCN9AKMT2AMEN1ABCB1
SCHEMBL700948 0.74 SCN9A (0.40) SCN9AKMT2AMEN1ABCB1
SCHEMBL22923868 0.73 MEN1 (0.48) KMT2AMEN1ALDH1A1ABCB1KDM4E

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 SCN9A 2106/4885KMT2A 2954/4885MEN1 2184/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B SCN9A 2106/4885KMT2A 2954/4885MEN1 2184/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B SCN9A 2106/4885KMT2A 2954/4885MEN1 2184/4885

“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.