SCHEMBL16746129

SCHEMBL16746129

CC(C)c1ccc2c(c1C(C)C)NC(=O)CO2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.43
NR3C2 P08235 1/20 0.43
PARP1 P09874 1/20 0.40
ADRB1 P08588 6/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ADRB2 P07550 4/20 0.35
MAPT P10636 2/20 0.34
GRM5 P41594 1/20 0.34
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL17344745 0.84 NR3C2 (0.52) MMP12NR3C2PARP1ADRB1MTNR1A
SCHEMBL8304103 0.83 NR3C2 (0.42) MMP12NR3C2PARP1ADRB1MTNR1A
SCHEMBL8306404 0.79 NR3C2 (0.47) MMP12NR3C2PARP1ADRB1MTNR1A
SCHEMBL8305014 0.79 NR3C2 (0.39) MMP12NR3C2PARP1MTNR1AMTNR1B
SCHEMBL16746147 0.75 MMP12 (0.40) MMP12PARP1ADRB1KDM5BTRPV1
SCHEMBL16746089 0.71 NPC1 (0.37) ADRB1KDM5BADRB2
SCHEMBL16746080 0.71 ALDH1A1 (0.40) MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL10215347 0.71 ADRB1 (0.65) ADRB1ADRB2
SCHEMBL17348473 0.70 NR3C2 (0.57) MMP12NR3C2PARP1MTNR1AMTNR1B
SCHEMBL16746087 0.70 XIAP (0.33)

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-9918990-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2018-03-20 US disclosed
US-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-01-19 US disclosed
US-9399640-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2016-07-26 US disclosed
US-20150148372-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 US disclosed
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 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 (3 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-20150148372-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MMP12 4382/4885NR3C2 1609/4885PARP1 457/4885
US-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MMP12 4382/4885NR3C2 1609/4885PARP1 457/4885
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MMP12 4382/4885NR3C2 1609/4885PARP1 457/4885

“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.