SCHEMBL2018378

SCHEMBL2018378

COc1ccccc1-c1ccc2c(c1)N1CCNC[C@@H]1CCO2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.48
HTR2A P28223 4/20 0.48
HTR2B P41595 9/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 1/20 0.44
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL2591154 1.00 HTR2C (0.48) HTR2CHTR2AHTR2BHTR7HTR6
SCHEMBL693532 0.92 HTR2C (0.48) HTR2CHTR2AHTR2BHTR7HTR6
SCHEMBL2015068 0.87 HTR2C (0.47) HTR2CHTR2AHTR2BHTR7HTR6
SCHEMBL2572492 0.87 HTR2C (0.47) HTR2CHTR2AHTR2BHTR7HTR6
SCHEMBL2015683 0.85 HTR2C (0.45) HTR2CHTR2AHTR2BHTR6
SCHEMBL2019545 0.85 HTR2C (0.45) HTR2CHTR2AHTR2BUSP2
SCHEMBL2019818 0.84 HTR2C (0.54) HTR2CHTR2AHTR2BHTR7HTR6
SCHEMBL2013664 0.83 HTR2C (0.49) HTR2CHTR2AHTR2B
SCHEMBL2576587 0.83 HTR2C (0.49) HTR2CHTR2AHTR2B
SCHEMBL2018056 0.83 HTR2C (0.51) HTR2CHTR2AHTR2BHTR7HTR6

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 8/4885HTR2A 13/4885HTR2B 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.