SCHEMBL15021986

SCHEMBL15021986

COC(=O)CCCc1nnc(-c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC6 Q9UBN7 2/20 0.48
PTPN1 P18031 5/20 0.48
NR1H4 Q96RI1 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CSNK2A2 P19784 2/20 0.46
CSNK2A1 P68400 2/20 0.46
DEGS1 O15121 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
POLB P06746 1/20 0.44
STAT3 P40763 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
SCHEMBL15022137 0.89 NR1H4 (0.54) RXFP1NPC1RAB9AMEN1KMT2A
SCHEMBL161921 0.89 SMN1; SMN2 (0.55) RXFP1NPC1RAB9AMEN1KMT2A
SCHEMBL158877 0.85 TRPV1 (0.49) NPC1RAB9AMEN1KMT2AHDAC6
SCHEMBL160613 0.83 PTPN1 (0.50) PTPN1NR1H4CSNK2A2CSNK2A1DEGS1
SCHEMBL159199 0.81 MEN1 (0.52) RXFP1NPC1RAB9AMEN1KMT2A
SCHEMBL160757 0.80 NR1H4 (0.67) RXFP1NPC1RAB9AMEN1KMT2A
SCHEMBL160976 0.79 SMN1; SMN2 (0.51) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL161099 0.78 GLS (0.46) NPC1RAB9AKMT2ACSNK2A2CSNK2A1
SCHEMBL161606 0.77 TRPV1 (0.50) MEN1KMT2AHDAC6NR1H4SMN1; SMN2
SCHEMBL164156 0.75 MAPT (0.52) RXFP1NPC1RAB9AMEN1KMT2A

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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 RXFP1 4452/4885NPC1 86/4885RAB9A 1781/4885

“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.