Sugi Predict

Sugi Predict / Compounds / SCHEMBL104209

SCHEMBL104209

SCHEMBL104209

CC(=O)N1CCC(CNC(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.48
▸ EPHX1 P07099 3/20 0.48
▸ PIK3CD O00329 1/20 0.42
▸ DPP4 P27487 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HTR3A P46098 1/20 0.37
▸ HTR4 Q13639 1/20 0.37

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
SCHEMBL13999441 0.84 IRAK4 (0.40) EPHX2EPHX1PIK3CDPOLB
SCHEMBL23568574 0.84 FAAH (0.40) EPHX2
SCHEMBL24509167 0.83 EPHX2 (0.50) EPHX2EPHX1
SCHEMBL24170971 0.83 SIGMAR1 (0.43) EPHX2EPHX1PIK3CDDPP4
SCHEMBL23560258 0.82 EPHX1 (0.33) EPHX2EPHX1
SCHEMBL23992157 0.81 CHRNB2 (0.39) EPHX2EPHX1PIK3CDDPP4
SCHEMBL24774506 0.81 EPHX2 (0.39) EPHX2POLB
SCHEMBL9891913 0.81 EPHX2 (0.54) EPHX2EPHX1PIK3CDDPP4HTR3A
SCHEMBL24626881 0.80 NPY5R (0.39) EPHX2EPHX1DPP4
SCHEMBL178411 0.79 EPHX2 (0.51) EPHX2EPHX1

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
WO-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 — — WO disclosed
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 — — US disclosed
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 — — US disclosed
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS Epizyme, Inc. 2020-04-16 — — US disclosed
US-9085560-B2 Heterocyclic compounds and uses thereof INTELLIKINE, INC. (US) 2015-07-21 — — US disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 — — US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 — — 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 EPHX2 4454/4885EPHX1 4407/4885PIK3CD 2563/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB EPHX2 1456/4885EPHX1 1290/4885PIK3CD 2/4885
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX2 1890/4885EPHX1 1684/4885PIK3CD 321/4885
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS EHMT2, EHMT1, BHMT EPHX2 318/4885EPHX1 413/4885PIK3CD 4053/4885
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX2 1890/4885EPHX1 1684/4885PIK3CD 321/4885

“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.