SCHEMBL758592

SCHEMBL758592

COC(=O)c1ccc2c(n1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NR1H2 P55055 1/20 0.42
GPR119 Q8TDV5 2/20 0.39
IDO1 P14902 7/20 0.39
KCNH2 Q12809 2/20 0.39
MAPT P10636 1/20 0.38
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37
KDM1A O60341 1/20 0.37
CHRM4 P08173 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
RBP4 P02753 1/20 0.36
MPO P05164 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL20572183 0.93 IDO1 (0.44) HDAC1HDAC6NR1H2GPR119IDO1
SCHEMBL299875 0.87 KDM1A (0.39) HDAC1HDAC6GPR119IDO1KCNH2
SCHEMBL10209788 0.84 PIM1 (0.41) HDAC1HDAC6NR1H2GPR119MAPT
SCHEMBL759155 0.84 KDM1A (0.39) HDAC1HDAC6GPR119IDO1KCNH2
SCHEMBL288294 0.83 IDO1 (0.37) IDO1KCNH2MAPTUSP30RBP4
SCHEMBL27437947 0.82 CHRM4 (0.40) HDAC1HDAC6GPR119IDO1KCNH2
SCHEMBL29173113 0.82 KDM1A (0.43) HDAC1HDAC6GPR119IDO1KCNH2
SCHEMBL22397607 0.81 UCHL1 (0.40) HDAC1HDAC6NR1H2GPR119IDO1
SCHEMBL27061519 0.81 MPO (0.44) HDAC1HDAC6NR1H2GPR119IDO1
SCHEMBL22397739 0.80 MPO (0.42) HDAC1HDAC6GPR119IDO1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 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-20120052130-A1 GPR 119 MODULATORS GPR119, GPR39, GPR65 HDAC1 2440/4885HDAC6 2589/4885NR1H2 73/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 HDAC1 1652/4885HDAC6 1813/4885NR1H2 47/4885

“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.