SCHEMBL19986352

SCHEMBL19986352

COC(=O)C(CN(C)C)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.51
SLC6A2 P23975 6/20 0.51
SLC6A4 P31645 6/20 0.51
KCNH2 Q12809 3/20 0.51
AOC3 Q16853 2/20 0.49
UTS2R Q9UKP6 6/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
EDNRA P25101 1/20 0.46

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
SCHEMBL31170906 0.84 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL5829437 0.84 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL7398621 0.82 ROCK2 (0.51) SLC6A3SLC6A2SLC6A4KCNH2AOC3
SCHEMBL8488299 0.80 UTS2R (0.46) SLC6A3UTS2REDNRA
SCHEMBL6671971 0.79 ALDH1A1 (0.52) SLC6A3SLC6A2SLC6A4AOC3CYP2D6
SCHEMBL30992200 0.77 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL1069341 0.76 LTA4H (0.53)
SCHEMBL29941132 0.75 UGT2B7 (0.55) SLC6A3CYP2D6
SCHEMBL1579310 0.75 UGT2B7 (0.55) SLC6A3CYP2D6
SCHEMBL28595878 0.75 MTNR1A (0.46) SLC6A3SLC6A2SLC6A4KCNH2UTS2R

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-10329298-B2 Inhibitors of cellular metabolic processes AGIOS PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 US disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 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-10329298-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 SLC6A3 3917/4885SLC6A2 3183/4885SLC6A4 3541/4885
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 SLC6A3 3917/4885SLC6A2 3183/4885SLC6A4 3541/4885

“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.