SCHEMBL19397229

SCHEMBL19397229

CC(C)CC1(C(C)C)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
HTT P42858 2/20 0.41
ATM Q13315 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
EPHX1 P07099 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39
EPHX2 P34913 1/20 0.39
RECQL P46063 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
NR1H2 P55055 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
SCHEMBL26971187 0.90 USP2 (0.44) USP2SMN1; SMN2HTTATMTSHR
SCHEMBL21158374 0.86 USP2 (0.46) USP2SMN1; SMN2HTTATMTSHR
SCHEMBL3645771 0.85 USP2 (0.45) USP2SMN1; SMN2HTTATMTSHR
SCHEMBL4278207 0.83 USP2 (0.46) USP2SMN1; SMN2HTTATMTSHR
SCHEMBL31726620 0.82 USP2 (0.45) USP2SMN1; SMN2HTTATMTSHR
SCHEMBL90592 0.82 USP2 (0.45) USP2SMN1; SMN2HTTATMTSHR
SCHEMBL89509 0.81 USP2 (0.44) USP2SMN1; SMN2HTTATMTSHR
SCHEMBL21851983 0.81 USP2 (0.44) USP2SMN1; SMN2HTTATMTSHR
SCHEMBL4276127 0.81 USP2 (0.44) USP2SMN1; SMN2HTTATMTSHR
SCHEMBL17173131 0.81 USP2 (0.41) USP2SMN1; SMN2HTTATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828369-B2 Isoquinoline derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2 MERCK SHARPE & DOHME CORP. (US) 2017-11-28 US disclosed
US-20170275274-A1 ISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 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 (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-20170275274-A1 ISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 USP2 2001/4885SMN1; SMN2 4848/4885HTT 1435/4885

“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.