SCHEMBL4924732

SCHEMBL4924732

O=c1c(-c2ccc(C(F)(F)F)cc2)cc2c(n1CC1CCC1)CCNC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 3/20 0.38
MCHR1 Q99705 5/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
PIM1 P11309 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PLAT P00750 2/20 0.36
EGLN1 Q9GZT9 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34

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
SCHEMBL4921014 0.86 CNR2 (0.44) BRD4CREBBP
SCHEMBL4916514 0.83 CNR2 (0.48)
SCHEMBL14144740 0.80 BRD4 (0.46) RIPK3BRD4CREBBP
SCHEMBL4924369 0.80 BRD4 (0.58) BRD4CREBBP
SCHEMBL4923434 0.80 RIPK3 (0.44) RIPK3BRD4CREBBPPLATEGLN1
SCHEMBL4924719 0.77 BRD4 (0.44) BRD4CREBBP
SCHEMBL4923871 0.77 CREBBP (0.64) BRD4CREBBP
SCHEMBL4923461 0.75 CNR2 (0.47) BRD4CREBBPHRH3
SCHEMBL4925689 0.74 BRD4 (0.46) RIPK3BRD4CREBBPHRH3
SCHEMBL4925735 0.74 BRD4 (0.51) BRD4CREBBPRORC

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 RIPK3 1294/4885MCHR1 599/4885BRD4 407/4885

“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.