SCHEMBL2016946

SCHEMBL2016946

COC(=O)NCCc1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.58
CNR1 P21554 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SPR P35270 1/20 0.50
GAA P10253 1/20 0.48
PLAAT5 Q96KN8 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MTNR1A P48039 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8545228 0.87 HDAC3 (0.56) TAAR1CNR1NPC1RAB9ASPR
SCHEMBL904075 0.85 CTSK (0.54) TAAR1CNR1NPC1RAB9APLAAT5
SCHEMBL31457033 0.85 CTSK (0.54) TAAR1CNR1NPC1RAB9APLAAT5
SCHEMBL18892410 0.84 NPC1 (0.52) TAAR1CNR1NPC1RAB9APLAAT5
SCHEMBL6228914 0.84 LMNA (0.58) NPC1LMNAHPGD
SCHEMBL1010819 0.84 TAAR1 (0.62) TAAR1CNR1NPC1RAB9APLAAT5
SCHEMBL31107125 0.84 SPR (0.72) TAAR1CNR1NPC1RAB9ASPR
SCHEMBL12720882 0.84 SPR (0.72) TAAR1CNR1NPC1RAB9ASPR
SCHEMBL18875032 0.83 ALDH1A1 (0.57) TAAR1CNR1NPC1RAB9ASPR
SCHEMBL30057191 0.83 ALDH1A1 (0.57) TAAR1CNR1NPC1RAB9ASPR

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
CN-103880745-A Chemical synthesis method of 6-bromo-1,2,3,4-tetrahydroisoquinolyl-1-formic acid UNIV NANTONG 2014-06-25 CN disclosed
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 WO 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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 TAAR1 4723/4885CNR1 3810/4885NPC1 10/4885

“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.