SCHEMBL1049102

SCHEMBL1049102

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.36
NQO2 P16083 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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 0.90 MTNR1A (0.35) SPRNQO2MTNR1AMTNR1BKDM4E
SCHEMBL1050658 0.80 MTNR1A (0.35) SPRNQO2MTNR1AMTNR1BKDM4E
SCHEMBL1050660 0.76 MTNR1A (0.35) SPRNQO2MTNR1AMTNR1BKDM4E
SCHEMBL1049805 0.72 NQO2 (0.33) SPRNQO2MTNR1AMTNR1BKDM4E
SCHEMBL78428 0.67 ADRB2 (0.46) SPRNQO2MTNR1AMTNR1BKDM4E
SCHEMBL1049807 0.67 HTR1D (0.35) NQO2MTNR1AMTNR1BKDM4EHPGD
SCHEMBL1051998 0.62 SPR (0.38) SPRNQO2MTNR1AMTNR1BKDM4E
SCHEMBL15599844 0.61 REN (0.69)
SCHEMBL1051996 0.61 KDM4E (0.36) SPRNQO2MTNR1AMTNR1BKDM4E
SCHEMBL91361 0.60 ADRB2 (0.49) SPRNQO2MTNR1AMTNR1BKDM4E

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 2 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

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 SPR 107/4885NQO2 196/4885MTNR1A 1026/4885

“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.