SCHEMBL2016287

SCHEMBL2016287

CC(=O)c1ccc(-c2ccc3c(c2)N2CCNC[C@@H]2CCO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1F P30939 1/20 0.39
HTR2C P28335 9/20 0.38
HTR2B P41595 9/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
HTR2A P28223 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
USP30 Q70CQ3 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
SCHEMBL2017858 0.92 HTR2C (0.39) PIK3CAHTR2CHTR2BHTR2AHRH3
SCHEMBL2013455 0.91 HRH3 (0.42) HTR1AHTR1DHTR1FHTR2CHTR2B
SCHEMBL2020139 0.85 HTR2C (0.41) HTR2CHTR2BHTR2A
SCHEMBL2019854 0.85 HTR2C (0.44) HTR2CHTR2BHTR2A
SCHEMBL2576587 0.84 HTR2C (0.49) HTR2CHTR2BHTR2AHRH3USP30
SCHEMBL2013664 0.84 HTR2C (0.49) HTR2CHTR2BHTR2AHRH3USP30
SCHEMBL2015749 0.84 HTR2C (0.41) HTR1AHTR1DHTR1FHTR2CHTR2B
SCHEMBL2572284 0.83 HTR2C (0.51) HTR1AHTR1DHTR1FHTR2CHTR2B
SCHEMBL2020219 0.83 HTR2C (0.51) HTR1AHTR1DHTR1FHTR2CHTR2B
SCHEMBL2019818 0.83 HTR2C (0.54) HTR1AHTR2CHTR2BHTR2A

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 PIK3CA 3251/4885HTR1A 2/4885HTR1D 3/4885

“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.