SCHEMBL703665

SCHEMBL703665

COC(=O)c1cccc2[nH]nc(CNC3CN4CCC3CC4)c12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46
PARP1 P09874 1/20 0.44

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
SCHEMBL703666 1.00 CHRNA7 (0.46) CHRNA7HTR3APARP1
SCHEMBL1078971 0.90 CHRNA7 (0.45) CHRNA7HTR3APARP1
SCHEMBL1078969 0.90 CHRNA7 (0.45) CHRNA7HTR3APARP1
SCHEMBL4329712 0.89 CHRNA7 (0.48) CHRNA7HTR3APARP1
SCHEMBL4329718 0.89 CHRNA7 (0.48) CHRNA7HTR3APARP1
SCHEMBL701124 0.88 CHRNA7 (0.47) CHRNA7HTR3APARP1
Lithium Ion SCHEMBL701123 0.87 CHRNA7 (0.47) CHRNA7HTR3APARP1
SCHEMBL1078670 0.85 HTR3A (0.38) CHRNA7HTR3A
SCHEMBL4432019 0.82 CHRNA7 (0.43) CHRNA7HTR3A
SCHEMBL1673067 0.82 CHRNA7 (0.43) CHRNA7HTR3APARP1

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-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
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.