SCHEMBL701364

SCHEMBL701364

COC(=O)c1cccc2c1c(CC=O)nn2Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CSF1R P07333 2/20 0.41
RORC P51449 2/20 0.39
SCN8A Q9UQD0 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CCR4 P51679 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL1079605 0.90 PTGER4 (0.43) CSF1RCCR4P2RX7
SCHEMBL702637 0.86 NR4A2 (0.40) L3MBTL1PKMSMN1; SMN2CSF1RALDH1A1
SCHEMBL701323 0.84 CYP1A2 (0.44) SLC16A3L3MBTL1PKMCYP1A2SMN1; SMN2
SCHEMBL27811768 0.82 CYP1A2 (0.42) SLC16A3L3MBTL1PKMCYP1A2SMN1; SMN2
SCHEMBL701110 0.81 KDM4E (0.40) L3MBTL1PKMCYP1A2ALDH1A1MEN1
SCHEMBL701653 0.78 PIK3CB (0.36) SMN1; SMN2ALDH1A1HPGDKMT2AKDM4E
SCHEMBL703149 0.76 PLA2G2A (0.44) L3MBTL1ALDH1A1P2RX7
SCHEMBL702524 0.75 HTR3A (0.43) SLC16A3CYP1A2SMN1; SMN2KDM4E
SCHEMBL702525 0.75 HTR3A (0.43) SLC16A3CYP1A2SMN1; SMN2KDM4E
SCHEMBL1081283 0.75 PTGER4 (0.44) CSF1RCCR4P2RX7

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 8 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
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
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 SLC16A3 631/4885L3MBTL1 4114/4885PKM 3079/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B SLC16A3 631/4885L3MBTL1 4114/4885PKM 3079/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B SLC16A3 631/4885L3MBTL1 4114/4885PKM 3079/4885

“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.