SCHEMBL1050658

SCHEMBL1050658

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
NQO2 P16083 1/20 0.35
SPR P35270 1/20 0.35
KDM4E B2RXH2 4/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 4/20 0.34
RXFP1 Q9HBX9 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
REN P00797 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
ADA P00813 1/20 0.32
SNCA P37840 1/20 0.32

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
SCHEMBL1049805 0.91 NQO2 (0.33) MTNR1AMTNR1BNQO2SPRKDM4E
SCHEMBL1052358 0.84 MTNR1A (0.35) MTNR1AMTNR1BNQO2SPRKDM4E
SCHEMBL1049102 0.80 SPR (0.36) MTNR1AMTNR1BNQO2SPRKDM4E
SCHEMBL1051996 0.77 KDM4E (0.36) MTNR1AMTNR1BNQO2SPRKDM4E
SCHEMBL1051998 0.76 SPR (0.38) MTNR1AMTNR1BNQO2SPRKDM4E
SCHEMBL1051085 0.74 REN (0.34) MTNR1AMTNR1BNQO2SPRKDM4E
SCHEMBL1049083 0.73 KDM4E (0.39) MTNR1AMTNR1BNQO2SPRKDM4E
SCHEMBL1083531 0.73 KDM4E (0.39) MTNR1AMTNR1BNQO2SPRKDM4E
SCHEMBL5710420 0.72 ADRB2 (0.40) MTNR1AMTNR1BNQO2SPRKDM4E
SCHEMBL1050754 0.72 KDM4E (0.30) KDM4EHPGDHSD17B10

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 MTNR1A 1026/4885MTNR1B 691/4885NQO2 196/4885

“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.