SCHEMBL3645771

SCHEMBL3645771

CC(C)C1(CN)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.42
ATM Q13315 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 1/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DPP4 P27487 1/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
DDB1 Q16531 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
SCHEMBL21158374 0.86 USP2 (0.46) USP2SMN1; SMN2EPHX2ATMHTT
SCHEMBL19397229 0.85 USP2 (0.45) USP2SMN1; SMN2EPHX2ATMHTT
SCHEMBL22770537 0.85 USP2 (0.43) USP2SMN1; SMN2EPHX2ATMHTT
SCHEMBL26971187 0.84 USP2 (0.44) USP2SMN1; SMN2EPHX2ATMHTT
SCHEMBL18418212 0.81 USP2 (0.50) USP2SMN1; SMN2EPHX2ATMTSHR
SCHEMBL17173128 0.81 USP2 (0.41) USP2SMN1; SMN2ATMHTTTSHR
SCHEMBL17173131 0.81 USP2 (0.41) USP2SMN1; SMN2ATMHTTTSHR
SCHEMBL16639870 0.80 USP2 (0.49) USP2SMN1; SMN2EPHX2ATMHTT
SCHEMBL1586924 0.80 USP2 (0.49) USP2SMN1; SMN2EPHX2ATMTSHR
SCHEMBL154164 0.80 USP2 (0.49) USP2SMN1; SMN2EPHX2TSHRALOX15

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
EP-2170058-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2013-07-03 EP disclosed
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
EP-2170058-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156715-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 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-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP USP2 2467/4885SMN1; SMN2 4046/4885EPHX2 775/4885

“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.