SCHEMBL2018056

SCHEMBL2018056

COc1cccc(-c2ccc3c(c2)N2CCNC[C@@H]2CCO3)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.51
HTR2B P41595 13/20 0.51
HTR6 P50406 4/20 0.47
HTR2A P28223 4/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
HTR3A P46098 1/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
ABL2 P42684 1/20 0.39
ADRB1 P08588 1/20 0.38

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
SCHEMBL3628840 0.92 HTR2C (0.54) HTR2CHTR2BHTR6HTR2AHTR1A
SCHEMBL2019818 0.90 HTR2C (0.54) HTR2CHTR2BHTR6HTR2AHTR1A
SCHEMBL2018076 0.88 HTR2C (0.61) HTR2CHTR2BHTR6HTR2AHTR3A
SCHEMBL697549 0.88 HTR2C (0.61) HTR2CHTR2BHTR6HTR2AHTR3A
SCHEMBL2016529 0.86 HTR2C (0.46) HTR2CHTR2BHTR6HTR2A
SCHEMBL2562895 0.86 HTR2C (0.46) HTR2CHTR2BHTR6HTR2A
SCHEMBL2013664 0.86 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2576587 0.86 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2572350 0.84 HTR2C (0.48) HTR2CHTR2BHTR6HTR2AHTR1A
SCHEMBL2575116 0.84 HTR2C (0.43) HTR2CHTR2BHTR2AABL1EGFR

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 11/4885HTR6 17/4885

“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.