SCHEMBL4923871

SCHEMBL4923871

CC(=O)N1CCc2c(cc(-c3ccc(C(F)(F)F)cc3)c(=O)n2CC2CCC2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 8/20 0.64
BRD4 O60885 6/20 0.64
KCNK3 O14649 3/20 0.42
ADRB3 P13945 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1E P28566 1/20 0.40
TSPO P30536 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
HTR5A P47898 1/20 0.40
KCNH2 Q12809 1/20 0.40
P2RY14 Q15391 1/20 0.40
CTSS P25774 5/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
PDGFRA P16234 1/20 0.39
KDR P35968 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
SCHEMBL14144732 0.89 CREBBP (0.67) CREBBPBRD4
SCHEMBL4925735 0.88 BRD4 (0.51) CREBBPBRD4P2RY14CTSS
SCHEMBL4924791 0.84 BRD4 (0.47) CREBBPBRD4KCNK3KCNH2PREP
SCHEMBL4924719 0.83 BRD4 (0.44) CREBBPBRD4CTSSSCN9A
SCHEMBL4927248 0.82 CREBBP (0.93) CREBBPBRD4KCNK3
SCHEMBL4925636 0.82 CREBBP (0.68) CREBBPBRD4
SCHEMBL4918956 0.82 CREBBP (0.62) CREBBPBRD4
SCHEMBL4921014 0.82 CNR2 (0.44) CREBBPBRD4
SCHEMBL4925458 0.81 CREBBP (0.71) CREBBPBRD4KCNK3DRD1
SCHEMBL4916514 0.79 CNR2 (0.48)

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.