SCHEMBL4923461

SCHEMBL4923461

O=c1c(-c2ccc(C(F)(F)F)cc2)cc2c(n1CC1CCC1)CCN(S(=O)(=O)c1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.47
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1C3 P42330 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
ESR2 Q92731 1/20 0.37
PDE5A O76074 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL4926420 0.92 BRD4 (0.41) CNR2BRD4CREBBPMEN1KMT2A
SCHEMBL4924719 0.87 BRD4 (0.44) CNR2BRD4CREBBPKMT2A
SCHEMBL4921014 0.79 CNR2 (0.44) CNR2BRD4CREBBP
SCHEMBL4923871 0.78 CREBBP (0.64) BRD4CREBBPPREP
SCHEMBL4916514 0.78 CNR2 (0.48) CNR2
SCHEMBL14144734 0.77 BRD4 (0.46) CNR2BRD4CREBBPESR2HRH3
SCHEMBL4925735 0.75 BRD4 (0.51) BRD4CREBBPESR2
SCHEMBL4924732 0.75 RIPK3 (0.38) BRD4CREBBPHRH3
SCHEMBL14113974 0.74 BRD4 (0.51) CNR2BRD4CREBBPHRH3KDM2B
SCHEMBL4924516 0.73 CNR2 (0.43) CNR2BRD4CREBBPKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CNR2 2/4885BRD4 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.