SCHEMBL3634353

SCHEMBL3634353

N#CC(C(=O)O)C1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.46
SLC6A3 Q01959 7/20 0.46
HDAC4 P56524 1/20 0.45
HSD11B1 P28845 6/20 0.39
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
CCR2 P41597 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL16554030 0.84 ALDH1A1 (0.39) SLC6A4SLC6A3HDAC4ALDH1A1
SCHEMBL15949024 0.80 SLC6A4 (0.54) SLC6A4SLC6A3CYP3A4SLC6A2ALDH1A1
SCHEMBL12473848 0.78 HDAC3 (0.38) SLC6A4SLC6A3SLC6A2
SCHEMBL15011161 0.78 SLC6A4 (0.46) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL16553939 0.77 MEN1 (0.46) ALOX15TSHROPRK1
SCHEMBL4249913 0.76 SLC6A4 (0.58) SLC6A4SLC6A3HDAC4HSD11B1CYP3A4
SCHEMBL11106885 0.71 SLC6A4 (0.56) SLC6A4SLC6A3HDAC4CYP3A4ALOX15
SCHEMBL5365250 0.70 OPRM1 (0.41) SLC6A4SLC6A3SLC6A2ALDH1A1LMNA
SCHEMBL19357459 0.69 SMN1; SMN2 (0.45) SLC6A4SLC6A3CYP3A4SLC6A2OPRK1
SCHEMBL9864650 0.68 SLC6A3 (0.58) SLC6A4SLC6A3CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901152-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2014-12-02 US disclosed
CN-103641823-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC 2014-03-19 CN disclosed
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-11-01 US disclosed
US-8242139-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2012-08-14 US disclosed
EP-2452937-A1 Inhibitors of diacylglycerol o-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-05-16 EP disclosed
CN-101743234-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-06-16 CN disclosed
EP-2142521-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
US-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-12-18 US disclosed
WO-2008134693-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 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 (2 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-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT SLC6A4 3093/4885SLC6A3 1550/4885HDAC4 1236/4885
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT SLC6A4 3093/4885SLC6A3 1550/4885HDAC4 1236/4885

“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.