SCHEMBL1050481

SCHEMBL1050481

COCCCc1cn(C)c2ccc(C(O)C(CC3COC(C)(C)N3C(=O)OC(C)(C)C)C(C)C)cc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
SPR P35270 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HTR6 P50406 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1052358 0.91 MTNR1A (0.35) NQO2MTNR1AMTNR1BSPRKDM4E
SCHEMBL1045290 0.90 SPR (0.33) NQO2MTNR1AMTNR1BSPRSPHK1
SCHEMBL1049805 0.85 NQO2 (0.33) NQO2MTNR1AMTNR1BSPRKDM4E
SCHEMBL1049102 0.81 SPR (0.36) NQO2MTNR1AMTNR1BSPRKDM4E
SCHEMBL1049807 0.80 HTR1D (0.35) NQO2MTNR1AMTNR1BKDM4EHPGD
SCHEMBL1050658 0.76 MTNR1A (0.35) NQO2MTNR1AMTNR1BSPRKDM4E
SCHEMBL1050660 0.71 MTNR1A (0.35) NQO2MTNR1AMTNR1BSPRKDM4E
SCHEMBL1066083 0.68 SPHK1 (0.47) SPHK1
SCHEMBL1065953 0.68 SPHK1 (0.47) SPHK1
SCHEMBL22318963 0.68 SPHK1 (0.47) SPHK1

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-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO 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-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C NQO2 196/4885MTNR1A 1026/4885MTNR1B 691/4885

“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.