SCHEMBL4926420

SCHEMBL4926420

O=c1c(-c2ccc(C(F)(F)F)cc2)cc2c(n1CC1CCC1)CCN(S(=O)(=O)c1cccc(F)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
AKR1C3 P42330 2/20 0.39
CNR2 P34972 4/20 0.39
KCNH2 Q12809 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
CNR1 P21554 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
TRPA1 O75762 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 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
SCHEMBL4923461 0.92 CNR2 (0.47) BRD4CREBBPAKR1C3CNR2PDE5A
SCHEMBL4924719 0.84 BRD4 (0.44) BRD4CREBBPCNR2KMT2A
SCHEMBL14113974 0.80 BRD4 (0.51) BRD4CREBBPCNR2KCNH2CNR1
SCHEMBL4921014 0.76 CNR2 (0.44) BRD4CREBBPCNR2CNR1
SCHEMBL4923871 0.76 CREBBP (0.64) BRD4CREBBPKCNH2
SCHEMBL4916514 0.75 CNR2 (0.48) CNR2CNR1
SCHEMBL14144734 0.74 BRD4 (0.46) BRD4CREBBPCNR2CNR1
SCHEMBL4925735 0.72 BRD4 (0.51) BRD4CREBBP
SCHEMBL4924732 0.72 RIPK3 (0.38) BRD4CREBBPHTR2C
SCHEMBL4929940 0.71 BRD4 (0.66) BRD4CREBBPHTR2AHTR2CCNR2

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 BRD4 407/4885CREBBP 3109/4885HTR2A 142/4885

“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.