SCHEMBL13615630

SCHEMBL13615630

CCC(CC)c1ccc(OCCNC(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL12330525 0.87 ALDH1A1 (0.56) MTNR1AMTNR1BALDH1A1NPSR1MAPK1
SCHEMBL13531977 0.85 RAB9A (0.55) MTNR1AMTNR1BALDH1A1NPSR1MAPK1
SCHEMBL14437955 0.80 LMNA (0.48) ALDH1A1TSHRHDAC8HDAC6LMNA
SCHEMBL31483087 0.80 MTNR1A (0.73) MTNR1AMTNR1BALDH1A1NPSR1MAPK1
SCHEMBL807668 0.80 NPC1 (0.69) MTNR1AMTNR1BALDH1A1MAPK1HSD17B10
SCHEMBL21567107 0.79 MEN1 (0.45) ALDH1A1NPSR1MAPK1TSHRHDAC8
SCHEMBL21099911 0.78 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1MAPK1HSD17B10
SCHEMBL31483051 0.76 SMN1; SMN2 (0.53) MTNR1AMTNR1BALDH1A1NPSR1MAPK1
SCHEMBL12833381 0.76 ALDH1A1 (0.53) ALDH1A1TSHRHDAC8HDAC6LMNA
SCHEMBL1053081 0.76 MTNR1A (0.69) MTNR1AMTNR1BNPC1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 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-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 MTNR1A 4145/4885MTNR1B 4186/4885ALDH1A1 3653/4885

“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.