SCHEMBL4781904

SCHEMBL4781904

CC(C)(C)OC(=O)N1CCc2c(cc(B(O)O)c(=O)n2CC2CCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
ESR2 Q92731 1/20 0.44
NR1H2 P55055 1/20 0.43
HPGDS O60760 2/20 0.40
CNR2 P34972 8/20 0.40
CNR1 P21554 7/20 0.40
FEN1 P39748 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL4736994 0.88 BRD4 (0.44) BRD4CREBBPESR2NR1H2HPGDS
SCHEMBL4784281 0.83 BRD4 (0.48) BRD4CREBBPESR2NR1H2HPGDS
SCHEMBL4925735 0.82 BRD4 (0.51) BRD4CREBBPESR2NR1H2HPGDS
SCHEMBL24716040 0.82 BRD4 (0.47) BRD4CREBBPESR2NR1H2HPGDS
SCHEMBL4785209 0.82 P2RX3 (0.42) BRD4CREBBPESR2NR1H2HPGDS
SCHEMBL4736108 0.80 BRD4 (0.73) BRD4CREBBPESR2NR1H2HPGDS
SCHEMBL4916250 0.80 BRD4 (0.54) BRD4CREBBPESR2NR1H2HPGDS
SCHEMBL24716044 0.79 BRD4 (0.44) BRD4CREBBPESR2NR1H2HPGDS
SCHEMBL4785027 0.74 CNR2 (0.51) CNR2CNR1
SCHEMBL28612230 0.71 HDAC6 (0.61) DDB1CRBN

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
WO-2008079316-A1 TETRAHYDROQUINOLINONES, TETRAHYDRONAPHTHYRIDONES AND DERIVATIVES THEREOF CARA THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
WO-2008079316-A1 TETRAHYDROQUINOLINONES, TETRAHYDRONAPHTHYRIDONES AND DERIVATIVES THEREOF CARA THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
US-20080161340-A1 Tetrahydroquinilinones, tetrahydronaphthyridones and derivatives thereof CARA THERAPEUTICS, INC. (US) 2008-07-03 US disclosed
US-20080161340-A1 Tetrahydroquinilinones, tetrahydronaphthyridones and derivatives thereof CARA THERAPEUTICS, INC. (US) 2008-07-03 US disclosed
US-20080161340-A1 Tetrahydroquinilinones, tetrahydronaphthyridones and derivatives thereof CARA THERAPEUTICS, INC. (US) 2008-07-03 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-20080161340-A1 Tetrahydroquinilinones, tetrahydronaphthyridones and derivatives thereof CNR1, CNR2, TRPV1 BRD4 407/4885CREBBP 3109/4885ESR2 2571/4885

“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.