SCHEMBL700033

SCHEMBL700033

O=C(O)c1cc(Br)cc2[nH]nc(CNC3CN4CCC3CC4)c12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.40
HTR3A P46098 1/20 0.40
PARP1 P09874 1/20 0.38
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BDKRB1 P46663 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
SCHEMBL700032 1.00 CHRNA7 (0.40) CHRNA7HTR3APARP1GAASMN1; SMN2
SCHEMBL4329718 0.84 CHRNA7 (0.48) CHRNA7HTR3APARP1GAASMN1; SMN2
SCHEMBL4329712 0.84 CHRNA7 (0.48) CHRNA7HTR3APARP1GAASMN1; SMN2
SCHEMBL701124 0.83 CHRNA7 (0.47) CHRNA7HTR3APARP1GAASMN1; SMN2
SCHEMBL13387265 0.78 SIGMAR1 (0.39) CHRNA7HTR3APARP1
SCHEMBL13387268 0.78 SIGMAR1 (0.39) CHRNA7HTR3APARP1
SCHEMBL9231237 0.76 SIGMAR1 (0.37) CHRNA7HTR3AMEN1KMT2A
SCHEMBL9231230 0.76 SIGMAR1 (0.37) CHRNA7HTR3AMEN1KMT2A
Lithium Ion SCHEMBL701123 0.76 CHRNA7 (0.47) CHRNA7HTR3APARP1GAASMN1; SMN2
SCHEMBL1672715 0.76 HTR3A (0.40) CHRNA7HTR3APARP1GAASMN1; SMN2

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 CHRNA7 300/4885HTR3A 1/4885PARP1 3235/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CHRNA7 300/4885HTR3A 1/4885PARP1 3235/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CHRNA7 300/4885HTR3A 1/4885PARP1 3235/4885

“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.