SCHEMBL21452277

SCHEMBL21452277

CC(C)N1CCC2(CCC(=O)N2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HSD11B1 P28845 2/20 0.38
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
TOP2A P11388 2/20 0.35
TOP2B Q02880 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDCD1LG2 Q9BQ51 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
CHRNA7 P36544 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
LRRK2 Q5S007 2/20 0.31
GAA P10253 2/20 0.31

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
SCHEMBL16750019 0.89 CYP11B1 (0.36) CYP11B1CYP11B2HSD11B1CYP2D6ALDH1A1
SCHEMBL15142098 0.89 CYP11B1 (0.42) CYP11B1CYP11B2HSD11B1CYP2D6ALDH1A1
SCHEMBL18925948 0.85 CYP2D6 (0.39) CYP11B1CYP11B2HSD11B1CYP2D6ALDH1A1
SCHEMBL23949374 0.83 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1MAPTTOP2A
SCHEMBL12658986 0.79 NEK2 (0.48) CYP11B1CYP11B2HSD11B1PDCD1LG2CD274
SCHEMBL21290758 0.77 CYP2D6 (0.41) CYP11B1CYP11B2HSD11B1CYP2D6ALDH1A1
SCHEMBL25037639 0.76 CYP2D6 (0.33) CYP2D6ALDH1A1MAPTTOP2ATOP2B
SCHEMBL22783791 0.74 CYP11B1 (0.43) CYP11B1CYP11B2HSD11B1PDCD1LG2CD274
SCHEMBL21739459 0.74 CYP11B1 (0.47) CYP11B1CYP11B2HSD11B1PDCD1LG2CD274
SCHEMBL18806108 0.74 CYP11B1 (0.43) CYP11B1CYP11B2HSD11B1PDCD1LG2CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3870582-B1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-07-19 EP 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
EP-3727378-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME LLC (US) 2023-02-22 EP disclosed
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 US disclosed
US-20210380606-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2021-12-09 US disclosed
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 US disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 US disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed
US-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. 2020-02-06 US disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 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 (7 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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B CYP11B1 2280/4885CYP11B2 2300/4885HSD11B1 3532/4885
US-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SLC10A1, SLCO1B3, SLC5A1 CYP11B1 27/4885CYP11B2 16/4885HSD11B1 43/4885
US-20210380606-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 CYP11B1 1253/4885CYP11B2 968/4885HSD11B1 1704/4885
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 CYP11B1 4246/4885CYP11B2 4505/4885HSD11B1 2258/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B CYP11B1 2280/4885CYP11B2 2300/4885HSD11B1 3532/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 CYP11B1 2040/4885CYP11B2 1296/4885HSD11B1 1247/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B CYP11B1 2591/4885CYP11B2 2549/4885HSD11B1 3717/4885

“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.