SCHEMBL701653

SCHEMBL701653

COC(=O)c1cccc2c1c(CC=O)nn2C(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PSMD14 O00487 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL701110 0.84 KDM4E (0.40) KDM4EALDH1A1GAAGLAKMT2A
SCHEMBL702637 0.82 NR4A2 (0.40) PIK3CBKDM4EALDH1A1PSMD14HPGD
SCHEMBL699920 0.81 KMT2A (0.37) PIK3CBKDM4EALDH1A1GAAKMT2A
SCHEMBL27811855 0.80 KMT2A (0.36) PIK3CBKDM4EALDH1A1GAAKMT2A
SCHEMBL15687317 0.79 KMT2A (0.40) PIK3CBKDM4EALDH1A1GAAKMT2A
SCHEMBL701364 0.78 SLC16A3 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL1079605 0.76 PTGER4 (0.43)
SCHEMBL701033 0.73 HTR3A (0.41)
SCHEMBL702597 0.73 HTR3A (0.41)
SCHEMBL702451 0.72 HTR3A (0.40)

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 PIK3CB 994/4885KDM4E 3629/4885ALDH1A1 2992/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B PIK3CB 994/4885KDM4E 3629/4885ALDH1A1 2992/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B PIK3CB 994/4885KDM4E 3629/4885ALDH1A1 2992/4885

“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.