SCHEMBL16420562

SCHEMBL16420562

CN1CCC(NC(=O)CC2CCCCC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.71
EPHX1 P07099 1/20 0.71
KMT2A Q03164 1/20 0.71
SIGMAR1 Q99720 1/20 0.54
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL16420763 0.98 HPGD (0.68) HPGDEPHX1KMT2ASIGMAR1KEAP1
SCHEMBL3655854 0.84 EPHX1 (1.00) HPGDEPHX1KMT2AALDH1A1KDM4E
SCHEMBL27192692 0.84 EPHX1 (0.92) HPGDEPHX1KMT2AALDH1A1KDM4E
SCHEMBL21442929 0.84 EPHX1 (1.00) HPGDEPHX1KMT2AALDH1A1KDM4E
SCHEMBL24490081 0.84 EPHX1 (1.00) HPGDEPHX1KMT2AALDH1A1KDM4E
SCHEMBL24574267 0.84 EPHX1 (1.00) HPGDEPHX1KMT2AALDH1A1KDM4E
SCHEMBL22055470 0.84 EPHX1 (1.00) HPGDEPHX1KMT2AALDH1A1KDM4E
SCHEMBL16437128 0.82 EPHX1 (0.96) HPGDEPHX1KMT2AALDH1A1KDM4E
SCHEMBL14839267 0.77 SIGMAR1 (0.49) EPHX1SIGMAR1ALDH1A1KDM4ELMNA
SCHEMBL10265277 0.77 SIGMAR1 (0.49) SIGMAR1ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458160-B2 Peripherally restricted diphenyl purine derivatives RESEARCH TRIANGLE INSTITUTE (US) 2016-10-04 US disclosed
US-20160046630-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES RES TRIANGLE INST (US) 2016-02-18 US disclosed
US-9187480-B2 Peripherally restricted diphenyl purine derivatives RESEARCH TRIANGLE INSTITUTE (US) 2015-11-17 US disclosed
US-20150031689-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-29 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 (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-20150031689-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES CNR1, CNR2, P2RY1 HPGD 1153/4885EPHX1 649/4885KMT2A 3557/4885
US-20160046630-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES CNR1, CNR2, P2RY1 HPGD 1153/4885EPHX1 649/4885KMT2A 3557/4885

“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.