SCHEMBL6801000

SCHEMBL6801000

COc1ccc(CCCN2CCCC[C@@H]2CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 7/20 0.58
SPHK1 Q9NYA1 6/20 0.58
HRH3 Q9Y5N1 3/20 0.53
GAA P10253 1/20 0.53
TRPV6 Q9H1D0 1/20 0.51
SIGMAR1 Q99720 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC18A2 Q05940 1/20 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
SCHEMBL6801004 1.00 SPHK2 (0.58) SPHK2SPHK1HRH3GAATRPV6
SCHEMBL9372352 0.92 HRH3 (0.63) SPHK2SPHK1HRH3TRPV6SIGMAR1
SCHEMBL6807049 0.92 HRH3 (0.63) SPHK2SPHK1HRH3TRPV6SIGMAR1
SCHEMBL6807045 0.92 HRH3 (0.63) SPHK2SPHK1HRH3TRPV6SIGMAR1
SCHEMBL9374317 0.88 HRH3 (0.68) SPHK2SPHK1HRH3TRPV6SIGMAR1
SCHEMBL9372055 0.88 HRH3 (0.68) SPHK2SPHK1HRH3TRPV6SIGMAR1
SCHEMBL9372067 0.88 HRH3 (0.68) SPHK2SPHK1HRH3TRPV6SIGMAR1
SCHEMBL20945190 0.80 SPHK2 (0.76) SPHK2SPHK1SIGMAR1
SCHEMBL18922677 0.78 SPHK2 (0.63) SPHK2SPHK1SIGMAR1
SCHEMBL9372378 0.78 HRH3 (0.65) SPHK2SPHK1HRH3GAATRPV6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1475373-A1 5,11-Dihydrodibenzo[b,e][1,4]-oxazepine derivatives as calcium channel antagonists Ajinomoto Co., Inc. (JP) 2004-11-10 EP disclosed
EP-1471060-A1 5,11-Dihydrodibenzo[b,e][1,4]-oxazepine derivatives as calcium channel antagonists Ajinomoto Co., Inc. (JP) 2004-10-27 EP disclosed
US-6528504-B2 Compounds such as (R)-5,11-dihydro-5-(1-(4-methoxyphenethyl)-piperidine-2-ylmethyl) -dibenzo(b,e)(1,4) oxazepine are useful for treating or preventing abnormal motor functions of gastrointestinal tracts, e.g., irritable bowel syndrome. AJINOMOTO CO., INC. (JP) 2003-03-04 US disclosed
US-20020099047-A1 Oxazepine derivatives and medicine containing the same AJINOMOTO CO., INC. (JP) 2002-07-25 US disclosed
EP-1142884-A1 OXAZEPINE DERIVATIVES AND DRUGS CONTAINING THE SAME Ajinomoto Co., Inc. (JP) 2001-10-10 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-20020099047-A1 Oxazepine derivatives and medicine containing the same CACNG5, GRIK5, KCNB1 SPHK2 734/4885SPHK1 960/4885HRH3 250/4885

“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.