SCHEMBL128455

SCHEMBL128455

COCOc1ccc(Br)cc1OC1CCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
SLC6A4 P31645 7/20 0.45
HTR6 P50406 2/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
PDE4D Q08499 1/20 0.42
POLB P06746 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
SCHEMBL705028 0.85 POLB (0.57) NPY1RNPY2RSLC6A4HTR6HTR2C
SCHEMBL130569 0.83 PDE4A (0.55) NPY1RNPY2RPDE4DPOLB
SCHEMBL682485 0.82 POLB (0.57) NPY1RNPY2RSLC6A4HTR6HTR2C
SCHEMBL28009643 0.81 TSHR (0.41)
SCHEMBL129356 0.80 PDE4A (0.59) NPY1RNPY2RPDE4DPOLB
SCHEMBL29340248 0.80 NPY1R (0.49) NPY1RNPY2RSLC6A4PDE4D
SCHEMBL5704271 0.78 PDE4A (0.57) NPY1RNPY2RPDE4DPOLB
SCHEMBL5252344 0.77 KDM4E (0.45) SLC6A4POLB
SCHEMBL31096114 0.76 PDE4A (0.50) NPY1RNPY2RSLC6A4HTR6PDE4D
SCHEMBL133005 0.76 PDE4A (0.50) NPY1RNPY2RSLC6A4HTR6PDE4D

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 4 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
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 NPY1R 378/4885NPY2R 332/4885SLC6A4 1359/4885

“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.