SCHEMBL2391589

SCHEMBL2391589

O=C(O)c1oc(N2CCc3ccccc3C2)nc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
DGAT1 O75907 2/20 0.42
TAAR1 Q96RJ0 2/20 0.40
PTPN11 Q06124 1/20 0.38
EED O75530 1/20 0.38
FAAH O00519 1/20 0.38
GRIN2D O15399 4/20 0.38
GRIN3B O60391 4/20 0.38
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
GRIN2B Q13224 4/20 0.38
GRIN2C Q14957 4/20 0.38
GRIN3A Q8TCU5 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
ABHD6 Q9BV23 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2397784 0.81 DGAT1 (0.38) DGAT1MEN1KMT2AMAPTNPC1
SCHEMBL2396006 0.77 KCNJ2 (0.41) DGAT1MEN1KMT2AMAPTRAB9A
SCHEMBL2397037 0.76 DGAT1 (0.47) DGAT1CYP2C9
SCHEMBL2145624 0.76 DGAT1 (0.49) DGAT1CYP2C9
SCHEMBL2145686 0.76 DGAT1 (0.62) DGAT1TP53
SCHEMBL2394792 0.75 DGAT1 (0.43) DGAT1MAPTNPC1CYP2C9RAB9A
SCHEMBL2390869 0.75 DGAT1 (0.51) DGAT1CYP2C9
SCHEMBL2145526 0.75 DGAT1 (0.51) DGAT1CYP2C9
SCHEMBL12246295 0.74 DGAT1 (0.55) DGAT1NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL2393326 0.74 DGAT1 (0.44) DGAT1ALDH1A1HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716312-B2 Inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORPORATION (US) 2014-05-06 US disclosed
EP-2367598-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-09-28 EP disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
WO-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
WO-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 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-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT HDAC6 301/4885DGAT1 2/4885TAAR1 2840/4885

“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.