SCHEMBL131694

SCHEMBL131694

CC(C)CCCOCC1CCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.38
UGCG Q16739 2/20 0.38
GBA2 Q9HCG7 2/20 0.38
SPHK2 Q9NRA0 4/20 0.33
SPHK1 Q9NYA1 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
ADRB1 P08588 1/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL131809 0.91 GBA1 (0.33) GBA1UGCGGBA2SMN1; SMN2ADRB1
SCHEMBL128458 0.89 GBA1 (0.36) GBA1UGCGGBA2ADRB1CYP2D6
SCHEMBL26726817 0.84 GBA1 (0.31) GBA1UGCGGBA2ADRB1CYP2D6
SCHEMBL127677 0.80 ALDH1A1 (0.34) GBA1UGCGGBA2SMN1; SMN2ADRB1
SCHEMBL16674382 0.80 ALDH1A1 (0.34) GBA1UGCGGBA2SMN1; SMN2ADRB1
SCHEMBL14590450 0.80 TSHR (0.38) GBA1UGCGGBA2SMN1; SMN2TSHR
SCHEMBL22579830 0.79 GBA1 (0.32) GBA1UGCGGBA2SPHK2SPHK1
SCHEMBL24607587 0.78 DRD2 (0.39) GBA1UGCGGBA2SMN1; SMN2
SCHEMBL21107631 0.78 DRD2 (0.39) GBA1UGCGGBA2
SCHEMBL21106043 0.77 PIK3CD (0.43) GBA1

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 GBA1 1194/4885UGCG 1855/4885GBA2 1577/4885

“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.