SCHEMBL2015749

SCHEMBL2015749

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.41
HTR2B P41595 11/20 0.41
HTR2A P28223 4/20 0.40
CHEK1 O14757 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
HSD17B3 P37058 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1F P30939 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL2019438 0.92 HTR2C (0.41) HTR2CHTR2BHTR2ACHEK1HSD17B3
SCHEMBL2015068 0.85 HTR2C (0.47) HTR2CHTR2BHTR2AHTR1A
SCHEMBL2572492 0.85 HTR2C (0.47) HTR2CHTR2BHTR2AHTR1A
SCHEMBL2019545 0.85 HTR2C (0.45) HTR2CHTR2BHTR2A
SCHEMBL2016287 0.84 PIK3CA (0.39) HTR2CHTR2BHTR2APDE3BPDE3A
SCHEMBL2013455 0.83 HRH3 (0.42) HTR2CHTR2BHTR2APDE3BPDE3A
SCHEMBL2018378 0.83 HTR2C (0.48) HTR2CHTR2BHTR2A
SCHEMBL2591154 0.83 HTR2C (0.48) HTR2CHTR2BHTR2A
SCHEMBL2015683 0.83 HTR2C (0.45) HTR2CHTR2BHTR2A
SCHEMBL2016050 0.82 ALOX5AP (0.42) HTR2CHTR2BHTR2APDE3BPDE3A

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
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.