SCHEMBL8486131

SCHEMBL8486131

CNCC(=O)N1CCC(NC)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.44
EPHX1 P07099 4/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
WNT3 P56703 1/20 0.40
SFRP1 Q8N474 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
JUN P05412 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
KDM1A O60341 1/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL8342117 0.84 FAP (0.45) EPHX2EPHX1ALDH1A1NPC1JUN
SCHEMBL2606045 0.82 ALDH1A1 (0.60) ALDH1A1NPC1KDM4EL3MBTL1
SCHEMBL13119145 0.82 ALDH1A1 (0.41) EPHX2EPHX1ALDH1A1NPC1WNT3
SCHEMBL12507086 0.82 EPHX2 (0.62) EPHX2EPHX1
SCHEMBL8485640 0.82 EPHX2 (0.45) EPHX2EPHX1ALDH1A1NPC1KDM1A
SCHEMBL25933285 0.82 EPHX2 (0.46) EPHX2EPHX1
SCHEMBL13866398 0.81 CPN1 (0.46) EPHX2EPHX1ALDH1A1NPC1KDM1A
SCHEMBL25934490 0.81 EPHX2 (0.44) EPHX2EPHX1ALDH1A1NPC1KDM1A
SCHEMBL12847378 0.81 ALDH1A1 (0.63) EPHX2EPHX1ALDH1A1NPC1POLB
SCHEMBL25932985 0.81 EPHX2 (0.44) EPHX2EPHX1ALDH1A1NPC1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP 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-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B EPHX2 1270/4885EPHX1 1505/4885ALDH1A1 1483/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS EPHX2 2775/4885EPHX1 2274/4885ALDH1A1 2792/4885

“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.