SCHEMBL4927737

SCHEMBL4927737

CC(C)C(=O)N1CCc2c(cc(-c3cccc(Cl)c3)c(=O)n2CC2CC2)C1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.81
BRD4 O60885 3/20 0.81
AVPR1B P47901 4/20 0.36
MAPK1 P28482 1/20 0.36
PTGIR P43119 1/20 0.36
PDE4B Q07343 1/20 0.36
SLC6A15 Q9H2J7 1/20 0.35
AVPR1A P37288 2/20 0.35
KDM2B Q8NHM5 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35

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 0.86 CREBBP (0.93) CREBBPBRD4
SCHEMBL4736108 0.82 BRD4 (0.73) CREBBPBRD4PTGIR
SCHEMBL4919399 0.80 BRD4 (0.70) CREBBPBRD4CNR2
SCHEMBL4923459 0.80 BRD4 (0.70) CREBBPBRD4CNR2
SCHEMBL4926209 0.80 BRD4 (0.65) CREBBPBRD4AVPR1BCNR2
SCHEMBL4929940 0.77 BRD4 (0.66) CREBBPBRD4KDM2BKMT2ACNR2
SCHEMBL4928449 0.75 BRD4 (0.63) CREBBPBRD4CNR2
SCHEMBL14113972 0.74 BRD4 (0.62) CREBBPBRD4CNR2
SCHEMBL4925458 0.74 CREBBP (0.71) CREBBPBRD4PTGIRPDE4BKDM2B
SCHEMBL4925636 0.72 CREBBP (0.68) 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 407/4885AVPR1B 11/4885

“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.