SCHEMBL2016050

SCHEMBL2016050

CS(=O)(=O)c1ccccc1-c1ccc2c(c1)N1CCNC[C@@H]1CCO2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
HTR2C P28335 11/20 0.41
HTR2B P41595 8/20 0.41
HTR2A P28223 4/20 0.40
HTR6 P50406 3/20 0.36
F10 P00742 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PIK3CD O00329 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
SCHEMBL693134 0.92 ALOX5AP (0.44) ALOX5APFEN1HTR2CHTR2BHTR2A
SCHEMBL2572492 0.85 HTR2C (0.47) HTR2CHTR2BHTR2AHTR6
SCHEMBL2015068 0.85 HTR2C (0.47) HTR2CHTR2BHTR2AHTR6
SCHEMBL2013148 0.83 HTR2C (0.40) HTR2CHTR2BHTR2AHTR6PDE3B
SCHEMBL2018378 0.83 HTR2C (0.48) HTR2CHTR2BHTR2AHTR6
SCHEMBL2591154 0.83 HTR2C (0.48) HTR2CHTR2BHTR2AHTR6
SCHEMBL2015683 0.83 HTR2C (0.45) HTR2CHTR2BHTR2AHTR6
SCHEMBL2019545 0.83 HTR2C (0.45) HTR2CHTR2BHTR2A
SCHEMBL2015749 0.82 HTR2C (0.41) HTR2CHTR2BHTR2APDE3BPDE3A
SCHEMBL2013664 0.81 HTR2C (0.49) HTR2CHTR2BHTR2A

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
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP claimed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP claimed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 US claimed
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 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 (1 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-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D ALOX5AP 862/4885FEN1 4467/4885HTR2C 8/4885

“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.