SCHEMBL700389

SCHEMBL700389

COC(=O)c1cccc2c1c(CN[C@@H]1CN3CCC1CC3)nn2CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
ADRA2B P18089 2/20 0.38
CHRM3 P20309 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR4 Q13639 2/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM4 P08173 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
HTR1D P28221 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR3A P46098 1/20 0.36
GAA P10253 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
SCHEMBL700388 1.00 CHRM2 (0.38) CHRM2ADRA2ACHRM1ADRA2BCHRM3
SCHEMBL4321080 0.91 HTR3A (0.37) CHRM2ADRA2ACHRM1ADRA2BCHRM3
SCHEMBL4321074 0.91 HTR3A (0.37) CHRM2ADRA2ACHRM1ADRA2BCHRM3
SCHEMBL703134 0.90 HTR3A (0.37) CHRM2ADRA2ACHRM1ADRA2BCHRM3
SCHEMBL701344 0.90 HTR3A (0.42) CHRM2ADRA2ACHRM1ADRA2BCHRM3
SCHEMBL699989 0.90 HTR3A (0.42) CHRM2ADRA2ACHRM1ADRA2BCHRM3
SCHEMBL699988 0.90 HTR3A (0.42) CHRM2ADRA2ACHRM1ADRA2BCHRM3
Lithium Ion SCHEMBL701408 0.89 HTR3A (0.36) CHRM2ADRA2ACHRM1ADRA2BCHRM3
SCHEMBL701034 0.87 HTR3A (0.41) CHRM2ADRA2ACHRM1ADRA2BCHRM3
SCHEMBL702597 0.87 HTR3A (0.41) CHRM2ADRA2ACHRM1ADRA2BCHRM3

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 CHRM2 365/4885ADRA2A 207/4885CHRM1 419/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CHRM2 365/4885ADRA2A 207/4885CHRM1 419/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CHRM2 365/4885ADRA2A 207/4885CHRM1 419/4885

“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.