SCHEMBL19223409

SCHEMBL19223409

CC[C@@H]1CN(C)C[C@H]1c1ccc(Cl)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A2 P23975 3/20 0.46
MAPK1 P28482 2/20 0.38
KDM1A O60341 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TACR3 P29371 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
SCHEMBL18024239 0.81 SLC6A4 (0.49) SLC6A3SLC6A4SLC6A2MAPK1HRH3
SCHEMBL23993627 0.80 HTR2A (0.49) SLC6A3SLC6A4SLC6A2KDM1A
SCHEMBL16649529 0.79 SLC6A2 (0.48) SLC6A3SLC6A4SLC6A2MAPK1KDM1A
SCHEMBL12498977 0.79 SLC6A2 (0.48) SLC6A3SLC6A4SLC6A2MAPK1KDM1A
SCHEMBL21393203 0.79 SLC6A4 (0.43) SLC6A3SLC6A4SLC6A2MAPK1KDM1A
SCHEMBL21038118 0.77 SLC6A4 (0.46) SLC6A3SLC6A4SLC6A2MAPK1HRH3
SCHEMBL18022538 0.77 SLC6A4 (0.46) SLC6A3SLC6A4SLC6A2MAPK1HRH3
SCHEMBL18745056 0.74 HTR2A (0.50) SLC6A3SLC6A4SLC6A2MAPK1
SCHEMBL16690753 0.74 SLC6A2 (0.43) SLC6A3SLC6A4SLC6A2MAPK1
SCHEMBL17460930 0.73 HTR2A (0.43) SLC6A3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301317-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2019-05-28 US disclosed
US-9951078-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2018-04-24 US disclosed
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2017-08-10 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 (2 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-10301317-B2 Inhibitors of ERK and methods of use MAP3K1, MAP3K2, MAP3K6 SLC6A3 4451/4885SLC6A4 4637/4885SLC6A2 4572/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 SLC6A3 4451/4885SLC6A4 4637/4885SLC6A2 4572/4885

“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.