SCHEMBL6355829

SCHEMBL6355829

COCCc1cccc(C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
KDM4E B2RXH2 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ADRA1A P35348 2/20 0.33
ALDH1A1 P00352 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
PTPN1 P18031 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
HTR2A P28223 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1B P35368 1/20 0.31
MAP2K7 O14733 1/20 0.30
CDC25A P30304 1/20 0.30
CDC25B P30305 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL534488 0.89 GABRA1 (0.36) GABRA1GABRB2KDM4ETAAR1ALDH1A1
SCHEMBL6351804 0.80 GABRA1 (0.41) GABRA1GABRB2KDM4ETAAR1ALDH1A1
SCHEMBL8816288 0.79 TAAR1 (0.56) KDM4ETAAR1ALDH1A1TSHRHPGD
SCHEMBL6355831 0.79 GABRA1 (0.38) GABRA1GABRB2KDM4ETAAR1ALDH1A1
SCHEMBL16954492 0.78 GABRA1 (0.48) GABRA1GABRB2TAAR1ALDH1A1TSHR
SCHEMBL27583 0.78 GABRA1 (0.43) GABRA1GABRB2TAAR1ALDH1A1TSHR
SCHEMBL27655851 0.77 HTR1A (0.36) GABRA1GABRB2TAAR1ADRA1APTPN1
SCHEMBL6215103 0.76 TSHR (0.42) ADRA1AALDH1A1TSHRHTR1AADRA1D
SCHEMBL6219249 0.76 GABRA1 (0.41) GABRA1GABRB2TAAR1ALDH1A1GPR84
SCHEMBL31719750 0.76 GABRA1 (0.41) GABRA1GABRB2TAAR1ALDH1A1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154007-A1 New compounds AMIN KOSRAT (SE) 2005-07-14 US disclosed
US-6790960-B2 Compounds ASTRAZENECA AB (SE) 2004-09-14 US disclosed
EP-1411056-A2 Imidazo[1,2-a]pyridine compounds that inhibit gastric acid secretion, pharmaceutical compositions thereof, and processes for their preparation AstraZeneca AB (SE) 2004-04-21 EP disclosed
US-20030220364-A1 New compounds AMIN KOSRAT (SE) 2003-11-27 US disclosed
US-6579884-B1 Compounds ASTRAZENECA AB (SE) 2003-06-17 US disclosed
EP-1105391-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2001-06-13 EP disclosed
WO-2000011000-A2 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-03-02 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 (2 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-20030220364-A1 New compounds SLC10A2, GIPR, FABP2 GABRA1 1299/4885GABRB2 720/4885KDM4E 4741/4885
US-20050154007-A1 New compounds SLC10A2, GIPR, FABP6 GABRA1 1389/4885GABRB2 687/4885KDM4E 4725/4885

“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.