SCHEMBL1079965

SCHEMBL1079965

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc2cnn(CC(OC)OC)c12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.35
DGAT1 O75907 1/20 0.34
FFAR1 O14842 1/20 0.32
KMT2A Q03164 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL14404327 0.81 UCHL1 (0.46) UCHL1DGAT1KMT2A
SCHEMBL759896 0.81 UCHL1 (0.56) UCHL1
SCHEMBL1081290 0.80 TP53 (0.39) KMT2A
SCHEMBL1080619 0.79 CA12 (0.39) KMT2A
SCHEMBL1080590 0.79 CYP11B1 (0.37) KMT2A
SCHEMBL21458253 0.79 UCHL1 (0.44) UCHL1DGAT1KMT2A
SCHEMBL1078809 0.78 KMO (0.37) KMT2A
SCHEMBL1081272 0.78 KMT2A (0.36) KMT2AIRAK4
SCHEMBL1080629 0.78 KMT2A (0.38) KMT2A
SCHEMBL14404450 0.76 UCHL1 (0.32) UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 US disclosed
US-8710046-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-25 US disclosed
EP-2459563-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-06-06 EP disclosed
WO-2011008572-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-20 WO 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 (2 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-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B UCHL1 2388/4885DGAT1 3604/4885FFAR1 247/4885
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B UCHL1 2388/4885DGAT1 3604/4885FFAR1 247/4885

“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.