SCHEMBL2013455

SCHEMBL2013455

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
HTR2C P28335 8/20 0.40
HTR2B P41595 8/20 0.40
HTR2A P28223 3/20 0.40
POLB P06746 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1F P30939 1/20 0.37
CHRM3 P20309 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
FYN P06241 1/20 0.36
NR5A2 O00482 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL2012821 0.92 HRH3 (0.42) HRH3HTR2CHTR2BHTR2APARP10
SCHEMBL2016287 0.91 PIK3CA (0.39) HRH3HTR2CHTR2BHTR2APOLB
SCHEMBL2575116 0.84 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL2016192 0.84 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL2562895 0.84 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL2016529 0.84 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL2013664 0.84 HTR2C (0.49) HRH3HTR2CHTR2BHTR2AUSP30
SCHEMBL2576587 0.84 HTR2C (0.49) HRH3HTR2CHTR2BHTR2AUSP30
SCHEMBL2015749 0.83 HTR2C (0.41) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL2017858 0.82 HTR2C (0.39) HRH3HTR2CHTR2BHTR2AUSP30

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 HRH3 64/4885HTR2C 8/4885HTR2B 11/4885

“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.