SCHEMBL4679518

SCHEMBL4679518

COc1ccc(C(=O)c2cc(Br)ccc2C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
NPSR1 Q6W5P4 3/20 0.63
KMT2A Q03164 3/20 0.63
RAB9A P51151 2/20 0.63
LMNA P02545 2/20 0.63
MAPK1 P28482 2/20 0.63
MEN1 O00255 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
NPC1 O15118 1/20 0.56
AKR1C3 P42330 2/20 0.53
ALDH1A1 P00352 2/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
AKR1C2 P52895 1/20 0.51
HTT P42858 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL1787406 0.97 MAPT (0.59) MAPTNPSR1KMT2ARAB9ALMNA
SCHEMBL4676500 0.94 MAPT (0.63) MAPTNPSR1KMT2ARAB9ALMNA
SCHEMBL4844039 0.85 MAPT (0.63) MAPTNPSR1KMT2ARAB9ALMNA
SCHEMBL8483054 0.84 MAPT (0.67) MAPTNPSR1KMT2ARAB9ALMNA
SCHEMBL4675271 0.84 CYP2C8 (0.59) MAPTRAB9ALMNAMAPK1NPC1
SCHEMBL24149128 0.83 MAPT (0.65) MAPTNPSR1KMT2ARAB9ALMNA
SCHEMBL4841745 0.83 NPC1 (0.58) MAPTNPSR1KMT2ARAB9ALMNA
SCHEMBL2870865 0.83 MAPT (0.65) MAPTNPSR1KMT2ARAB9ALMNA
SCHEMBL16108714 0.82 AKR1C3 (0.43) MAPTNPSR1KMT2ARAB9ALMNA
SCHEMBL181455 0.82 MAPT (0.63) MAPTNPSR1KMT2ARAB9ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102666495-A Potassium channel modulators ABBOTT LAB 2012-09-12 CN disclosed
EP-1572672-B1 BENZOXAZOCINES AND THEIR USE AS MONOAMINE-REUPTAKE INHIBITORS SOSEI R & D LTD (GB) 2008-08-13 EP disclosed
EP-1950206-A1 Benzoxazocines and their use as monoamine-reuptake inhibitors Sosei R&D Ltd. (GB) 2008-07-30 EP disclosed
US-20060019940-A1 Novel benzoxazocines and their therapeutic use SOSEI R&D LTD. (GB) 2006-01-26 US disclosed
EP-1572672-A1 BENZOXAZOCINES AND THEIR USE AS MONOAMINE-REUPTAKE INHIBITORS Arakis Ltd. (GB) 2005-09-14 EP disclosed
WO-2004056788-A1 BENZOXAZOCINES AND THEIR USE AS MONOAMINE-REUPTAKE INHIBITORS ARAKIS LTD. (GB) 2004-07-08 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-20060019940-A1 Novel benzoxazocines and their therapeutic use HTR4, OPRM1, GRM4 MAPT 3319/4885NPSR1 63/4885KMT2A 1143/4885

“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.