SCHEMBL1145481

SCHEMBL1145481

CC(C)Sc1ccc(CN)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.45
MAOA P21397 4/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
LOXL2 Q9Y4K0 3/20 0.42
ABAT P80404 1/20 0.41
MAOB P27338 2/20 0.40
TAAR1 Q96RJ0 1/20 0.38
PSIP1 O75475 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
SCHEMBL21426769 0.83 TAAR1 (0.50) SLC6A2LOXL2MAOBTAAR1
SCHEMBL30753693 0.81 SLC6A4 (0.39) SLC6A4MAOASLC6A2SLC6A3HRH3
SCHEMBL13154485 0.79 TP53 (0.40) SLC6A4MAOASLC6A2SLC6A3HRH3
SCHEMBL24025403 0.77 SLC6A4 (0.45) SLC6A4MAOASLC6A2SLC6A3
SCHEMBL20300154 0.77 SLC6A4 (0.36) SLC6A4MAOASLC6A2SLC6A3HRH3
SCHEMBL9485870 0.77 TSHR (0.39) SLC6A4MAOASLC6A2SLC6A3HRH3
SCHEMBL20433780 0.76 LPL (0.42) SLC6A4MAOASLC6A2SLC6A3HRH3
SCHEMBL24047166 0.74 LOXL2 (0.45) SLC6A4MAOASLC6A2SLC6A3HRH3
SCHEMBL24372887 0.74 GAA (0.42) SLC6A4TAAR1
SCHEMBL24047065 0.74 HRH3 (0.52) SLC6A4SLC6A2SLC6A3HRH3TAAR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021188696-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
EP-2888242-B1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-9346794-B1 Substituted 4-pyridones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-24 US disclosed
US-20160130265-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-05-12 US disclosed
EP-2888242-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2015-07-01 EP disclosed
WO-2014029830-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 WO disclosed
US-20140057926-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 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 (3 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 SLC6A4 4685/4885MAOA 3946/4885SLC6A2 4432/4885
US-20140057926-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, SERPINB6 SLC6A4 3279/4885MAOA 332/4885SLC6A2 4018/4885
US-20160130265-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, SERPINB6 SLC6A4 3279/4885MAOA 332/4885SLC6A2 4018/4885

“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.