SCHEMBL4786144

SCHEMBL4786144

O=c1c(Br)cc2c(n1Cc1ccccc1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
SLC2A1 P11166 1/20 0.43
CNR1 P21554 8/20 0.43
CNR2 P34972 8/20 0.43
HPGD P15428 2/20 0.42
FABP4 P15090 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
FABP3 P05413 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL4926544 0.82 BRD4 (0.46) BRD4SLC2A1CNR1CNR2HPGD
SCHEMBL4784844 0.74 CNR2 (0.50) CNR1CNR2
SCHEMBL10865148 0.73 SMN1; SMN2 (0.49) BRD4SLC2A1CNR1CNR2FABP4
SCHEMBL4781941 0.72 CNR2 (0.52) CNR1CNR2
SCHEMBL10592159 0.72 CCR2 (0.52) BRD4SLC2A1CNR1CNR2FABP4
SCHEMBL28546405 0.72 PKN1 (0.48) BRD4SLC2A1CNR1HPGDFABP4
SCHEMBL4784814 0.71 CNR2 (0.57) CNR1CNR2
SCHEMBL2746381 0.70 CNR2 (0.74) CNR1CNR2
SCHEMBL5521063 0.70 CNR2 (0.74) CNR1CNR2
SCHEMBL2746302 0.69 CNR2 (0.69) CNR1CNR2HPGDFABP4SMN1; SMN2

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 2 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

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 407/4885SLC2A1 3441/4885CNR1 1/4885

“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.