SCHEMBL6981999

SCHEMBL6981999

COc1ccc2c(c1)NCC(c1ccccc1)O2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.56
ABCB1 P08183 1/20 0.56
AR P10275 1/20 0.56
CYP19A1 P11511 5/20 0.53
MAOB P27338 3/20 0.53
MAPT P10636 2/20 0.45
CYP3A4 P08684 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL17634138 0.83 MAOB (0.41) ABCG2ABCB1ARCYP19A1MAOB
SCHEMBL4969411 0.81 MAOB (0.50) CYP19A1MAOBMAPTCYP3A4KMT2A
SCHEMBL4971664 0.78 ADAMTS5 (0.42) ABCG2ABCB1ARCYP19A1MAOB
SCHEMBL30317182 0.78 NISCH (0.40) ABCG2ABCB1ARCYP19A1MAOB
SCHEMBL30991550 0.78 MAOB (0.50) ARCYP19A1MAOBMAPTKDM4E
SCHEMBL9177187 0.77 NISCH (0.58) ARCYP19A1MAOBMAPTCYP3A4
SCHEMBL11545591 0.75 HPGD (0.48) ABCG2ABCB1ARMAPTCYP3A4
SCHEMBL30991556 0.74 MAOB (0.41) ARCYP19A1MAOBMAPTKDM4E
SCHEMBL11053487 0.73 ABCB1 (0.61) ABCG2ABCB1ARCYP19A1MAOB
SCHEMBL2362658 0.72 MAOB (0.54) CYP19A1MAOBMAPTALDH1A1

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-6620809-B2 Useful in treating or in preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-09-16 US disclosed
EP-1106608-B1 Substituted (dihydro)benzoxazine and (dihydro)benzothiazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-05 EP disclosed
US-20010003747-A1 New substituted (dihydro)benzoxazine and (dihydro)benzothiazine compounds LES LABORATOIRES SERVIER (FR) 2001-06-14 US disclosed
EP-1106608-A1 Substituted (dihydro)benzoxazine and (dihydro)benzothiazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-06-13 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-20010003747-A1 New substituted (dihydro)benzoxazine and (dihydro)benzothiazine compounds MTNR1A, MTNR1B, SQOR ABCG2 1238/4885ABCB1 2686/4885AR 944/4885

“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.