SCHEMBL4926544

SCHEMBL4926544

O=c1c(-c2ccccc2)cc2c(n1Cc1ccccc1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
CNR1 P21554 10/20 0.43
CNR2 P34972 9/20 0.43
SLC2A1 P11166 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.41
FABP4 P15090 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4786144 0.82 BRD4 (0.44) BRD4CNR1CNR2SLC2A1CSNK2A2
SCHEMBL4928560 0.81 CNR2 (0.51) BRD4CNR1CNR2
SCHEMBL4782213 0.80 CNR2 (0.53) BRD4CNR1CNR2
SCHEMBL28546405 0.80 PKN1 (0.48) BRD4CNR1SLC2A1CSNK2A2CSNK2B
SCHEMBL10865148 0.72 SMN1; SMN2 (0.49) BRD4CNR1CNR2SLC2A1CSNK2A2
SCHEMBL10592159 0.71 CCR2 (0.52) BRD4CNR1CNR2SLC2A1CSNK2A2
SCHEMBL4923673 0.71 BRD4 (0.67) BRD4CNR1CNR2
SCHEMBL4928449 0.70 BRD4 (0.63) BRD4CNR1CNR2
SCHEMBL4925439 0.70 BRD4 (0.48) BRD4CNR1CNR2
SCHEMBL14113972 0.70 BRD4 (0.62) BRD4CNR1CNR2

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 407/4885CNR1 1/4885CNR2 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.