SCHEMBL12153138

SCHEMBL12153138

CC(C)N1CCC(n2nnc3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 6/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 1/20 0.51
BAP1 Q92560 1/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
SCD O00767 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 2/20 0.46
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45

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
SCHEMBL11201625 0.83 USP2 (0.58) USP2ALDH1A1MEN1KMT2ANPC1
SCHEMBL5633033 0.82 USP2 (0.58) USP2ALDH1A1MEN1KMT2ANPC1
Lithium Ion SCHEMBL5633232 0.81 USP2 (0.57) USP2ALDH1A1MEN1KMT2ANPC1
SCHEMBL12153235 0.80 USP2 (0.58) USP2ALDH1A1MEN1KMT2ANPC1
SCHEMBL17538382 0.79 CYP3A4 (0.58) USP2ALDH1A1MEN1KMT2ANPC1
SCHEMBL8253693 0.79 USP2 (0.59) USP2ALDH1A1MEN1KMT2ANPC1
SCHEMBL13875589 0.79 USP2 (0.63) USP2ALDH1A1MEN1KMT2ANPC1
SCHEMBL16372562 0.78 USP2 (0.66) USP2ALDH1A1MEN1KMT2ANPC1
SCHEMBL29152989 0.78 USP2 (0.66) USP2ALDH1A1MEN1KMT2ANPC1
SCHEMBL3452972 0.77 USP2 (0.55) USP2ALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 USP2 2811/4885ALDH1A1 3312/4885MEN1 3792/4885

“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.