SCHEMBL701218

SCHEMBL701218

COC(=O)c1cccc2c1c(CNC1CC3CCCC(C1)N3C)nn2C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 15/20 0.54
HTR3E A5X5Y0 1/20 0.47
SLC22A2 O15244 1/20 0.47
HTR3B O95264 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
KCNH2 Q12809 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SLC47A1 Q96FL8 1/20 0.47
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL701688 0.96 HTR3A (0.48) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL4424546 0.90 HTR3A (0.53) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL699828 0.89 HTR3A (0.52) HTR3AHTR3ESLC22A2HTR3BCHRNB2
Lithium Ion SCHEMBL699827 0.88 HTR3A (0.52) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL704225 0.85 HTR3A (0.47) HTR3AHTR3ESLC22A2HTR3BCHRNB2
Lithium Ion SCHEMBL704224 0.84 HTR3A (0.46) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL700878 0.77 CHRM2 (0.42) HTR3A
SCHEMBL700879 0.77 CHRM2 (0.42) HTR3A
SCHEMBL701021 0.77 CHRM2 (0.42) HTR3A
SCHEMBL701118 0.76 HTR3A (0.44) HTR3AHTR3ESLC22A2HTR3BCHRNB2

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
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
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 HTR3A 1/4885HTR3E 5/4885SLC22A2 3109/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B HTR3A 1/4885HTR3E 5/4885SLC22A2 3109/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B HTR3A 1/4885HTR3E 5/4885SLC22A2 3109/4885

“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.