SCHEMBL2019388

SCHEMBL2019388

c1cncc(-c2ccc3c(c2)N2CCNC[C@@H]2CCO3)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.49
CYP11B2 P19099 6/20 0.49
HTR2C P28335 7/20 0.46
HTR2B P41595 7/20 0.46
HTR2A P28223 5/20 0.46
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39

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
SCHEMBL3627616 0.92 CYP11B1 (0.56) CYP11B1CYP11B2HTR2CHTR2BHTR2A
SCHEMBL2013372 0.87 HTR2C (0.47) HTR2CHTR2BHTR2APIK3CDPIK3CA
SCHEMBL2576587 0.87 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2013664 0.87 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2016529 0.83 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL2562895 0.83 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL2016192 0.83 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL2575116 0.83 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL2572350 0.83 HTR2C (0.48) HTR2CHTR2BHTR2A
SCHEMBL2021535 0.83 HTR2C (0.48) HTR2CHTR2BHTR2A

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 9 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
EP-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP disclosed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO 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 CYP11B1 658/4885CYP11B2 698/4885HTR2C 8/4885

“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.