SCHEMBL2201078

SCHEMBL2201078

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.38
ABCB1 P08183 1/20 0.37
TDP2 O95551 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
WDR5 P61964 1/20 0.34
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.33
HTR1E P28566 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL2197334 0.98 SLC6A3 (0.38) SLC6A3ABCB1TDP2SMN1; SMN2WDR5
SCHEMBL2195538 0.96 ABCB1 (0.38) SLC6A3ABCB1TDP2SMN1; SMN2WDR5
SCHEMBL2198291 0.85 TDP2 (0.39) ABCB1TDP2CYP1A2CYP2C19CYP3A4
SCHEMBL2199935 0.83 TDP2 (0.39) ABCB1TDP2CYP1A2CYP2C19CYP3A4
SCHEMBL2199646 0.81 DGAT1 (0.36) TDP2MAPT
SCHEMBL2195751 0.81 TDP2 (0.40) ABCB1TDP2CYP1A2CYP2C19CYP3A4
SCHEMBL2195168 0.80 DGAT1 (0.36) MAPT
SCHEMBL2195956 0.78 NPSR1 (0.36) SMN1; SMN2MEN1KMT2ANPSR1MAPT
SCHEMBL13718891 0.78 PTPN1 (0.44) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL2179848 0.77 ABCB1 (0.43) ABCB1

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 SLC6A3 602/4885ABCB1 1179/4885TDP2 928/4885

“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.