SCHEMBL127291

SCHEMBL127291

[CH2]Cc1csc(CCC)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.47
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
HDAC1 Q13547 12/20 0.32
HDAC6 Q9UBN7 12/20 0.32
SREBF2 Q12772 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
SCHEMBL11926805 0.83 SLC6A3 (0.49) SLC6A3DRD2HTR2AHRH1HDAC1
SCHEMBL128234 0.83
SCHEMBL11366303 0.80 SLC6A3 (0.47) SLC6A3DRD2HTR2AHRH1
SCHEMBL7009281 0.80 SLC6A3 (0.47) SLC6A3DRD2HTR2AHRH1HDAC1
SCHEMBL442405 0.80 SLC6A3 (0.47) SLC6A3DRD2HTR2AHRH1HDAC1
Hydrochloric Acid SCHEMBL457520 0.78 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1HDAC1
Hydrochloric Acid SCHEMBL21879694 0.78 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1HDAC1
SCHEMBL14206867 0.78 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1HDAC1
Hydrochloric Acid SCHEMBL11624078 0.78 RAB9A (0.47) SLC6A3DRD2HTR2AHRH1
SCHEMBL18924516 0.77 SLC6A3 (0.44) SLC6A3DRD2HTR2AHRH1HDAC1

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-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 SLC6A3 1466/4885DRD2 169/4885HTR2A 207/4885

“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.