SCHEMBL21740356

SCHEMBL21740356

CC(=O)N1CCN(C2CCCC(N)C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 2/20 0.39
NSD2 O96028 1/20 0.39
CYP2C8 P10632 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1B P28222 1/20 0.39
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 9/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL1441955 0.84 CYP1A2 (0.45) CYP1A2TDP1POLBEPHX2
SCHEMBL4550241 0.84 POLB (0.50) CYP1A2TDP1POLBHSD17B10HRH3
SCHEMBL24192451 0.81 USP2 (0.50) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL13088446 0.80 POLB (0.55) CYP1A2TDP1POLBHSD17B10HRH3
SCHEMBL31397626 0.79 CYP1A2 (0.43) CYP1A2TDP1POLBHSD17B10HRH3
SCHEMBL13627077 0.79 HRH3 (0.48) CYP1A2TDP1POLBHSD17B10HRH3
SCHEMBL10075487 0.78 POLB (0.58) POLBHSD17B10HRH3MEN1KMT2A
SCHEMBL13088457 0.78 POLB (0.58) POLBHSD17B10HRH3MEN1KMT2A
SCHEMBL13453747 0.78 POLB (0.58) POLBHSD17B10HRH3MEN1KMT2A
SCHEMBL18479438 0.78 PHGDH (0.42) POLBHSD17B10HRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12116358-B2 Substituted indoles and methods of use thereof Epizyme, Inc. (US) 2024-10-15 US disclosed
US-20240299352-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. 2024-09-12 US disclosed
EP-4351552-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2024-04-17 EP disclosed
CN-117794543-A Combination therapy with SETD2 inhibitors EPIZYME股份有限公司 2024-03-29 CN disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230075198-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. 2023-03-09 US disclosed
EP-4107157-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2022-12-28 EP disclosed
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
CN-115380033-A SETD2 inhibitors and related methods and uses, including combination therapies EPIZYME股份有限公司 2022-11-22 CN disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO 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 (4 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-12116358-B2 Substituted indoles and methods of use thereof CCNE1, CCNE2, FOXM1 SETD2 947/4885NSD2 641/4885CYP2C8 163/4885
US-20230075198-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF FOXM1, CCNE2, CCNE1 SETD2 1006/4885NSD2 644/4885CYP2C8 163/4885
US-20240299352-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS SETD2, CARM1, SETDB1 SETD2 1/4885NSD2 35/4885CYP2C8 3214/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 SETD2 3/4885NSD2 14/4885CYP2C8 3354/4885

“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.