SCHEMBL3701782

SCHEMBL3701782

CC(C)(C)OC(=O)N1CCC(OCCO)(c2ccc(Br)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.48
ESRRB O95718 1/20 0.40
ESR1 P03372 1/20 0.40
ESRRA P11474 1/20 0.40
ESRRG P62508 1/20 0.40
FPR3 P25089 5/20 0.39
FPR2 P25090 5/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
CYP11B2 P19099 1/20 0.37
USP30 Q70CQ3 1/20 0.37
SCD5 Q86SK9 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL3696429 0.83 RORC (0.46) RORCFPR3FPR2JAK2JAK1
SCHEMBL3701066 0.82 RORC (0.50) RORCGPR119
SCHEMBL30508386 0.81 RORC (0.47) RORCESRRBESR1ESRRAESRRG
SCHEMBL1427288 0.80 RORC (0.49) RORCFPR3FPR2JAK2JAK1
SCHEMBL3695939 0.77 RORC (0.54) RORCFPR3FPR2CYP11B2USP30
SCHEMBL16936274 0.76 RORC (0.53) RORCFPR3FPR2JAK2JAK1
SCHEMBL18226512 0.76 RORC (0.53) RORCFPR3FPR2JAK2JAK1
SCHEMBL16936273 0.76 RORC (0.53) RORCFPR3FPR2JAK2JAK1
SCHEMBL1938618 0.76 RORC (0.48) RORCESRRBESR1ESRRAESRRG
SCHEMBL14415552 0.75 CCR5 (0.46) RORCUSP30SCD5

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 5 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
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
US-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-12-18 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 (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 RORC 4088/4885ESRRB 3578/4885ESR1 3931/4885
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT RORC 4088/4885ESRRB 3578/4885ESR1 3931/4885

“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.