SCHEMBL4785209

SCHEMBL4785209

CC(C)(C)OC(=O)N1CCc2c(cc(Cc3ccccc3F)c(=O)n2CC2CCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
HPGDS O60760 2/20 0.41
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.39
SCN9A Q15858 1/20 0.38
MAPK1 P28482 1/20 0.37
NAMPT P43490 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
UCHL1 P09936 1/20 0.37
FEN1 P39748 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
SCHEMBL4781904 0.82 BRD4 (0.44) BRD4CREBBPMAPTGPR119HPGDS
SCHEMBL4736994 0.80 BRD4 (0.44) BRD4CREBBPMAPTGPR119HPGDS
SCHEMBL4925735 0.77 BRD4 (0.51) P2RX3BRD4CREBBPMAPTGPR119
SCHEMBL4736108 0.76 BRD4 (0.73) BRD4CREBBPMAPTSMN1; SMN2HPGDS
SCHEMBL4916250 0.76 BRD4 (0.54) BRD4CREBBPMAPTGPR119HPGDS
SCHEMBL4784281 0.76 BRD4 (0.48) BRD4CREBBPMAPTGPR119HPGDS
SCHEMBL24716040 0.75 BRD4 (0.47) BRD4CREBBPHPGDSESR2NR1H2
SCHEMBL4784570 0.74 CNR1 (0.37)
SCHEMBL4918956 0.74 CREBBP (0.62) BRD4CREBBP
SCHEMBL24716044 0.72 BRD4 (0.44) BRD4CREBBPSMN1; SMN2GPR119HPGDS

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 P2RX3 651/4885BRD4 407/4885CREBBP 3109/4885

“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.