SCHEMBL17136271

SCHEMBL17136271

CC1(C)OB(c2ccc(CN3CCN(C(=O)O)CC3)nc2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.42
HRH3 Q9Y5N1 5/20 0.40
USP30 Q70CQ3 1/20 0.40
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
FAAH O00519 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ROCK1 Q13464 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL30396496 0.85 USP30 (0.55) DGAT1HRH3USP30ALDH1A1KDM4E
SCHEMBL17148720 0.85 USP30 (0.55) DGAT1HRH3USP30ALDH1A1KDM4E
SCHEMBL30434278 0.84 LTA4H (0.39) DGAT1HRH3USP30KDM4E
SCHEMBL15647594 0.84 LTA4H (0.39) DGAT1HRH3USP30KDM4E
SCHEMBL21550453 0.84 HRH3 (0.43) DGAT1HRH3USP30
SCHEMBL22561593 0.82 DGAT1 (0.38) DGAT1HRH3USP30ALDH1A1ROCK1
SCHEMBL143358 0.82 HRH3 (0.45) DGAT1HRH3
SCHEMBL3416907 0.82 HRH3 (0.47) HRH3ALDH1A1
SCHEMBL15648977 0.81 DGAT1 (0.40) DGAT1USP30ALDH1A1
SCHEMBL30889384 0.81 DGAT1 (0.40) DGAT1USP30ALDH1A1

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
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2024-05-23 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
US-20210060027-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2021-03-04 US disclosed
EP-3725314-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2020-10-21 EP disclosed
EP-2906537-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2020-03-11 EP disclosed
US-10092572-B2 Substituted benzene compounds Epizyme, Inc. (US) 2018-10-09 US disclosed
US-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2015-10-08 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 (5 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-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL DGAT1 3770/4885HRH3 1485/4885USP30 2972/4885
US-10092572-B2 Substituted benzene compounds CYP1B1, TP53, VHL DGAT1 3770/4885HRH3 1485/4885USP30 2972/4885
US-20210060027-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL DGAT1 3770/4885HRH3 1485/4885USP30 2972/4885
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL DGAT1 3770/4885HRH3 1485/4885USP30 2972/4885
US-11642348-B2 Substituted benzene compounds CYP1B1, TP53, VHL DGAT1 3770/4885HRH3 1485/4885USP30 2972/4885

“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.