SCHEMBL1034370

SCHEMBL1034370

CCCCCc1sc(N)nc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COPS5 Q92905 7/20 0.54
FBP1 P09467 1/20 0.48
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
HRH4 Q9H3N8 3/20 0.43
HRH3 Q9Y5N1 3/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43

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
SCHEMBL5217772 0.88 FBP1 (0.58) COPS5FBP1HRH2HRH1HRH4
SCHEMBL3110046 0.82 HCAR2 (0.40) COPS5ALDH1A1HCAR2HCAR3
SCHEMBL3109908 0.82 HCAR2 (0.43) COPS5HCAR2HCAR3
SCHEMBL1002345 0.81 COPS5 (0.54) COPS5FBP1HRH2HRH1HRH4
Bromide SCHEMBL7136559 0.80 COPS5 (0.52) COPS5FBP1HRH2HRH1HRH4
SCHEMBL27765071 0.77 COPS5 (0.55) COPS5FBP1HRH2HRH1HRH4
SCHEMBL4128973 0.77 FBP1 (0.83) COPS5FBP1HRH2HRH1HRH4
SCHEMBL11338473 0.75 GABRP (0.45) HRH2HRH1HRH4HRH3DRD2
SCHEMBL28512741 0.75 ALDH1A1 (0.44) COPS5ALDH1A1CYP1A2
SCHEMBL9729231 0.74 HRH2 (0.63) HRH2HRH1HRH4HRH3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP disclosed
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 US disclosed
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 EP disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 COPS5 1423/4885FBP1 1402/4885HRH2 64/4885

“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.