SCHEMBL4786314

SCHEMBL4786314

O=c1[nH]c2c(cc1Br)CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
NPSR1 Q6W5P4 2/20 0.56
RET P07949 1/20 0.42
ALOX15 P16050 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDR P35968 5/20 0.40
PDGFRB P09619 5/20 0.40
FGFR1 P11362 3/20 0.40
SRC P12931 3/20 0.40
MAPT P10636 3/20 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
SCHEMBL8630990 0.76 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL435143 0.76 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL14144727 0.76 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL26755843 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL21785590 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL21785278 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL17675575 0.73 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL32661815 0.73 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL23090378 0.72 KDM4E (0.96) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL32662010 0.72 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10NPSR1

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 ALDH1A1 1856/4885KDM4E 4018/4885HPGD 357/4885

“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.