SCHEMBL4925458

SCHEMBL4925458

COc1cccc(-c2cc3c(n(CC4CCC4)c2=O)CCN(C(C)=O)C3)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.71
BRD4 O60885 4/20 0.71
KCNK3 O14649 2/20 0.42
MGAT2 Q10469 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
ABCB1 P08183 1/20 0.41
PDE4B Q07343 1/20 0.40
KDM2B Q8NHM5 2/20 0.39
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
EP300 Q09472 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
DRD1 P21728 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4927248 0.87 CREBBP (0.93) CREBBPBRD4KCNK3TP53EP300
SCHEMBL4914588 0.84 BRD4 (0.50) CREBBPBRD4DGAT2KDM2BPTGIR
SCHEMBL4920255 0.84 BRD4 (0.48) CREBBPBRD4
SCHEMBL4925636 0.84 CREBBP (0.68) CREBBPBRD4EP300
SCHEMBL14144732 0.83 CREBBP (0.67) CREBBPBRD4KDM2BEP300
SCHEMBL4923871 0.81 CREBBP (0.64) CREBBPBRD4KCNK3DRD1
SCHEMBL4918956 0.80 CREBBP (0.62) CREBBPBRD4
SCHEMBL4736108 0.78 BRD4 (0.73) CREBBPBRD4PTGIRTP53
SCHEMBL4916250 0.75 BRD4 (0.54) CREBBPBRD4EP300
SCHEMBL4927737 0.74 CREBBP (0.81) CREBBPBRD4PDE4BKDM2BPTGIR

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
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 CREBBP 3109/4885BRD4 407/4885KCNK3 2653/4885

“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.