SCHEMBL4914588

SCHEMBL4914588

COc1cccc(-c2cc3c(n(CC4CCC4)c2=O)CCN(S(C)(=O)=O)C3)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
CREBBP Q92793 1/20 0.50
DGAT2 Q96PD7 1/20 0.41
CNR2 P34972 2/20 0.41
PIK3CA P42336 3/20 0.39
KDM2B Q8NHM5 1/20 0.38
GHSR Q92847 3/20 0.37
RYR2 Q92736 1/20 0.37
CNR1 P21554 1/20 0.37
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PTGIR P43119 1/20 0.36
PTGDR Q13258 1/20 0.36

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
SCHEMBL14113974 0.87 BRD4 (0.51) BRD4CREBBPCNR2KDM2BCNR1
SCHEMBL4929940 0.87 BRD4 (0.66) BRD4CREBBPCNR2KDM2BCNR1
SCHEMBL4925458 0.84 CREBBP (0.71) BRD4CREBBPDGAT2KDM2BALDH1A1
SCHEMBL4920255 0.84 BRD4 (0.48) BRD4CREBBPCNR2PIK3CACNR1
SCHEMBL4919399 0.83 BRD4 (0.70) BRD4CREBBPCNR2CNR1ALDH1A1
SCHEMBL14144734 0.83 BRD4 (0.46) BRD4CREBBPCNR2KDM2BCNR1
SCHEMBL4923915 0.83 BRD4 (0.49) BRD4CREBBPCNR2CNR1
SCHEMBL4924719 0.81 BRD4 (0.44) BRD4CREBBPCNR2SCN9A
SCHEMBL4924516 0.80 CNR2 (0.43) BRD4CREBBPCNR2CNR1
SCHEMBL4923459 0.76 BRD4 (0.70) BRD4CREBBPCNR2CNR1

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 3109/4885DGAT2 2086/4885

“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.