SCHEMBL13387271

SCHEMBL13387271

Cc1nc2cccc(C(=O)O)c2n1CCN[C@H]1CN2CCC1CC2

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.40
DHODH Q02127 1/20 0.39

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
SCHEMBL13387318 1.00 HTR3A (0.40) HTR3ADHODH
SCHEMBL13387272 1.00 HTR3A (0.40) HTR3ADHODH
SCHEMBL13387291 0.90 HTR3A (0.39) HTR3A
SCHEMBL13387292 0.90 HTR3A (0.39) HTR3A
SCHEMBL13387442 0.90 HTR3A (0.39) HTR3A
SCHEMBL13387203 0.89 HTR3A (0.42) HTR3A
SCHEMBL13387206 0.89 HTR3A (0.42) HTR3A
SCHEMBL13387410 0.89 HTR3A (0.42) HTR3A
SCHEMBL13387198 0.89 DHODH (0.47) HTR3ADHODH
SCHEMBL13387196 0.89 DHODH (0.47) HTR3ADHODH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 US disclosed
US-8710046-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-25 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 (2 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-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B HTR3A 1/4885DHODH 1358/4885
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B HTR3A 1/4885DHODH 1358/4885

“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.