SCHEMBL4925375

SCHEMBL4925375

O=c1c(-c2cn[nH]c2)cc2c(n1CC1CCC1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.43
CNR1 P21554 13/20 0.43
PIK3CA P42336 3/20 0.43
MTOR P42345 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 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
SCHEMBL4926581 0.83 CNR2 (0.54) CNR2CNR1
SCHEMBL4782213 0.80 CNR2 (0.53) CNR2CNR1
SCHEMBL4926847 0.80 CNR2 (0.44) CNR2CNR1
SCHEMBL4923889 0.79 CNR2 (0.46) CNR2CNR1
SCHEMBL4925439 0.78 BRD4 (0.48) CNR2CNR1
SCHEMBL4914775 0.77 CNR2 (0.48) CNR2CNR1
SCHEMBL4926020 0.77 CNR2 (0.46) CNR2CNR1
SCHEMBL14144904 0.77 CNR2 (0.45) CNR2CNR1
SCHEMBL4921014 0.76 CNR2 (0.44) CNR2CNR1
SCHEMBL4924351 0.76 CNR2 (0.45) CNR2CNR1

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 2/4885CNR1 1/4885PIK3CA 652/4885

“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.