SCHEMBL4919399

SCHEMBL4919399

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

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.70
CREBBP Q92793 1/20 0.70
CNR2 P34972 9/20 0.45
TNF P01375 1/20 0.40
LITAF Q99732 1/20 0.40
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CD74 P04233 1/20 0.35
CTSS P25774 1/20 0.35
CNR1 P21554 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
SCHEMBL4929940 0.96 BRD4 (0.66) BRD4CREBBPCNR2TNFLITAF
SCHEMBL4923459 0.92 BRD4 (0.70) BRD4CREBBPCNR2TNFLITAF
SCHEMBL4926209 0.88 BRD4 (0.65) BRD4CREBBPCNR2TNFLITAF
SCHEMBL14113974 0.85 BRD4 (0.51) BRD4CREBBPCNR2CCNT1CDK9
SCHEMBL4914588 0.83 BRD4 (0.50) BRD4CREBBPCNR2ALDH1A1CNR1
SCHEMBL14144734 0.80 BRD4 (0.46) BRD4CREBBPCNR2ESR1ESR2
SCHEMBL4927737 0.80 CREBBP (0.81) BRD4CREBBPCNR2
SCHEMBL4923673 0.80 BRD4 (0.67) BRD4CREBBPCNR2PDE4ACNR1
SCHEMBL4927248 0.79 CREBBP (0.93) BRD4CREBBP
SCHEMBL14113972 0.79 BRD4 (0.62) 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 3109/4885CNR2 2/4885

“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.