SCHEMBL2198291

SCHEMBL2198291

COC(=O)C1(N2Cc3ccc(-c4ccc(N)cc4)cc3C2=O)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.39
CTSK P43235 1/20 0.35
CTSC P53634 1/20 0.35
MAP3K5 Q99683 3/20 0.35
MAPK1 P28482 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADAM17 P78536 2/20 0.33
SDCBP O00560 1/20 0.33
SDC2 P34741 1/20 0.33
PPIA P62937 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MCHR1 Q99705 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
SCHEMBL2199935 0.98 TDP2 (0.39) TDP2CTSKCTSCMAP3K5MAPK1
SCHEMBL2195751 0.95 TDP2 (0.40) TDP2CTSKCTSCMAP3K5MAPK1
SCHEMBL2201078 0.85 SLC6A3 (0.38) TDP2ABCB1CYP1A2CYP3A4CYP2C9
SCHEMBL2199646 0.84 DGAT1 (0.36) TDP2MAPK1ADAM17SDCBPSDC2
SCHEMBL2197334 0.83 SLC6A3 (0.38) TDP2MAP3K5MAPK1ABCB1
SCHEMBL2195168 0.83 DGAT1 (0.36) CTSKCTSCMAP3K5MAPK1KDM4E
SCHEMBL2195956 0.81 NPSR1 (0.36) KDM4EALDH1A1SDCBPSDC2PPIA
SCHEMBL13718891 0.81 PTPN1 (0.44) MAPK1KDM4EALDH1A1MCHR1
SCHEMBL2195538 0.81 ABCB1 (0.38) TDP2MAPK1ABCB1
SCHEMBL2179848 0.80 ABCB1 (0.43) ABCB1MCHR1

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-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 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-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT TDP2 928/4885CTSK 2944/4885CTSC 473/4885

“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.