SCHEMBL4804878

SCHEMBL4804878

OC[C@H]1CCCN1CCc1ccc(N2CCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 7/20 0.64
SPHK1 Q9NYA1 7/20 0.64
HRH3 Q9Y5N1 2/20 0.50
L3MBTL3 Q96JM7 6/20 0.48
L3MBTL1 Q9Y468 6/20 0.48
MBTD1 Q05BQ5 1/20 0.48
TP53BP1 Q12888 1/20 0.48
SIGMAR1 Q99720 2/20 0.46

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
SCHEMBL4804888 1.00 SPHK2 (0.64) SPHK2SPHK1HRH3L3MBTL3L3MBTL1
SCHEMBL4807164 0.91 SPHK2 (0.60) SPHK2SPHK1HRH3L3MBTL3L3MBTL1
SCHEMBL4807172 0.91 SPHK2 (0.60) SPHK2SPHK1HRH3L3MBTL3L3MBTL1
SCHEMBL15921347 0.82 SPHK2 (0.71) SPHK2SPHK1HRH3
SCHEMBL15921348 0.82 SPHK2 (0.71) SPHK2SPHK1HRH3
SCHEMBL4889834 0.82 SPHK2 (0.67) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL4889839 0.82 SPHK2 (0.67) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL8879669 0.82 SPHK2 (0.67) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL27627908 0.82 SPHK2 (0.66) SPHK2SPHK1HRH3
SCHEMBL6797294 0.81 SPHK2 (0.62) SPHK2SPHK1HRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320973-B2 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
US-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2004-06-10 US disclosed
EP-1403258-A1 DIHYDRODIARYLOXAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-03-31 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 (1 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-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same CYP3A4, PPARD, CYP4B1 SPHK2 697/4885SPHK1 792/4885HRH3 518/4885

“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.