SCHEMBL10242800

SCHEMBL10242800

C[C@H](Cc1cccc(CO)c1)N[C@H](C)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.71
SLC2A1 P11166 1/20 0.45
TAAR1 Q96RJ0 2/20 0.42
SLC18A2 Q05940 1/20 0.42
ADRB2 P07550 5/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CNR1 P21554 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42

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
Hydrochloric Acid SCHEMBL12096441 0.98 SIGMAR1 (0.69) SIGMAR1SLC2A1TAAR1SLC18A2ADRB2
Hydrochloric Acid SCHEMBL2140139 0.98 SIGMAR1 (0.69) SIGMAR1SLC2A1TAAR1SLC18A2ADRB2
Hydrochloric Acid SCHEMBL2140145 0.98 SIGMAR1 (0.69) SIGMAR1SLC2A1TAAR1SLC18A2ADRB2
SCHEMBL6110554 0.85 SIGMAR1 (0.71) SIGMAR1SLC2A1TAAR1SLC18A2ADRB2
SCHEMBL3628122 0.84 SIGMAR1 (0.65) SIGMAR1ADRB2NPC1RAB9ALMNA
SCHEMBL731229 0.84 SIGMAR1 (0.69) SIGMAR1SLC2A1TAAR1SLC18A2ADRB2
SCHEMBL9322567 0.84 SIGMAR1 (1.00) SIGMAR1TAAR1SLC18A2ADRB2ADRB1
Hydrochloric Acid SCHEMBL3915133 0.83 SIGMAR1 (0.63) SIGMAR1SLC2A1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL732028 0.83 SIGMAR1 (0.63) SIGMAR1SLC2A1ADRB2NPC1RAB9A
Hydrochloric Acid SCHEMBL3625561 0.83 SIGMAR1 (0.63) SIGMAR1SLC2A1ADRB2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 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-20120322788-A1 Compouds PKD1, SBDS, ABCB11 SIGMAR1 426/4885SLC2A1 1240/4885TAAR1 2334/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 SIGMAR1 765/4885SLC2A1 1059/4885TAAR1 1986/4885

“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.