SCHEMBL1672735

SCHEMBL1672735

O=C(O)c1cccc2c1c(CN[C@H]1CN3CCC1CC3)nn2-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CCR1 P32246 3/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR3 P51677 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL1672736 1.00 MEN1 (0.49) MEN1KMT2ACCR1GAASMN1; SMN2
SCHEMBL4313992 1.00 MEN1 (0.49) MEN1KMT2ACCR1GAASMN1; SMN2
SCHEMBL700122 0.99 MEN1 (0.48) MEN1KMT2ACCR1GAASMN1; SMN2
Lithium Ion SCHEMBL700121 0.91 MEN1 (0.47) MEN1KMT2ACCR1GAASMN1; SMN2
Lithium Ion SCHEMBL701964 0.91 MEN1 (0.47) MEN1KMT2ACCR1GAASMN1; SMN2
SCHEMBL702594 0.90 MEN1 (0.47) MEN1KMT2ACCR1CCR3
SCHEMBL702595 0.90 MEN1 (0.47) MEN1KMT2ACCR1CCR3
SCHEMBL703073 0.90 MEN1 (0.47) MEN1KMT2ACCR1CCR3
SCHEMBL1672707 0.84 MEN1 (0.47) MEN1KMT2AGAASMN1; SMN2CHRM2
SCHEMBL4317776 0.83 CHRM2 (0.41) GAACHRM2CHRM1CHRM3

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 7 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
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 MEN1 2184/4885KMT2A 2954/4885CCR1 1452/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B MEN1 2184/4885KMT2A 2954/4885CCR1 1452/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B MEN1 2184/4885KMT2A 2954/4885CCR1 1452/4885

“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.