SCHEMBL2013148

SCHEMBL2013148

CS(=O)(=O)c1cccc(-c2ccc3c(c2)N2CCNC[C@@H]2CCO3)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.40
HTR2B P41595 11/20 0.40
HTR2A P28223 4/20 0.40
HTR6 P50406 5/20 0.38
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PRKDC P78527 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ACVR1 Q04771 1/20 0.36
DPP4 P27487 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
SCHEMBL693526 0.92 HTR2C (0.40) HTR2CHTR2BHTR2AHTR6PIK3CB
SCHEMBL2562895 0.84 HTR2C (0.46) HTR2CHTR2BHTR2AHTR6
SCHEMBL2016529 0.84 HTR2C (0.46) HTR2CHTR2BHTR2AHTR6
SCHEMBL2576587 0.84 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2013664 0.84 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2016843 0.83 HTR2C (0.46) HTR2CHTR2BHTR2AHTR6PRKDC
SCHEMBL2016050 0.83 ALOX5AP (0.42) HTR2CHTR2BHTR2AHTR6PDE3B
SCHEMBL2015975 0.83 GRIA2 (0.42) PIK3CBMTORPRKDCATMATR
SCHEMBL2016120 0.82 HTR2C (0.42) HTR2CHTR2BHTR2AHTR6
SCHEMBL2572350 0.82 HTR2C (0.48) HTR2CHTR2BHTR2AHTR6

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 HTR2C 8/4885HTR2B 11/4885HTR2A 13/4885

“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.