SCHEMBL4925636

SCHEMBL4925636

CC(=O)N1CCc2c(cc(-c3cccnc3)c(=O)n2CC2CCC2)C1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 9/20 0.68
BRD4 O60885 6/20 0.68
EP300 Q09472 3/20 0.50
CYP11B2 P19099 5/20 0.41
EGLN1 Q9GZT9 1/20 0.41
CYP11B1 P15538 2/20 0.39
CYP19A1 P11511 1/20 0.39
ACVR1 Q04771 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL4916250 0.89 BRD4 (0.54) CREBBPBRD4EP300CYP11B2EGLN1
SCHEMBL4927248 0.85 CREBBP (0.93) CREBBPBRD4EP300
SCHEMBL14144732 0.85 CREBBP (0.67) CREBBPBRD4EP300
SCHEMBL4923915 0.84 BRD4 (0.49) CREBBPBRD4EP300CYP11B2EGLN1
SCHEMBL4925458 0.84 CREBBP (0.71) CREBBPBRD4EP300
SCHEMBL4923889 0.83 CNR2 (0.46) CREBBPBRD4EGLN1
SCHEMBL4923871 0.82 CREBBP (0.64) CREBBPBRD4
SCHEMBL4918956 0.81 CREBBP (0.62) CREBBPBRD4
SCHEMBL4923434 0.79 RIPK3 (0.44) CREBBPBRD4CYP11B2EGLN1CYP11B1
SCHEMBL4736108 0.74 BRD4 (0.73) CREBBPBRD4

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 407/4885EP300 3559/4885

“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.