SCHEMBL4523477

SCHEMBL4523477

CCOC(=O)c1cn(CC)nc1NC(=O)C(CC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ELOVL1 Q9BW60 1/20 0.47
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KCNQ2 O43526 3/20 0.44
GAA P10253 2/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 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
SCHEMBL31715017 0.76 MAPT (0.44) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL175006 0.76 SMN1; SMN2 (0.54) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL8693735 0.72 SMN1; SMN2 (0.41) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL4577091 0.72 ALDH1A1 (0.46) ALDH1A1ELOVL1CRHBPCRHR2LMNA
SCHEMBL8693064 0.72 ALDH1A1 (0.52) ALDH1A1CRHBPCRHR2LMNAHTT
SCHEMBL20027638 0.71 MAPK1 (0.60) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8693623 0.71 ALDH1A1 (0.48) ALDH1A1CRHBPCRHR2LMNAHTT
SCHEMBL4576752 0.71 POLB (0.43) ALDH1A1ELOVL1CRHBPCRHR2LMNA
SCHEMBL8693579 0.70 ALDH1A1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL8693881 0.70 HTT (0.43) ALDH1A1LMNAHTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062365-A1 Pyrazoles for the Treatment of GERD and IBS ASTRAZENECA AB (SE) 2009-03-05 US claimed
EP-1966150-A1 PYRAZOLES FOR THE TREATMENT OF GERD AND IBS AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007073297-A1 PYRAZOLES FOR THE TREATMENT OF GERD AND IBS ASTRAZENECA AB (SE) 2007-06-28 WO claimed
US-20090062365-A1 Pyrazoles for the Treatment of GERD and IBS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062365-A1 Pyrazoles for the Treatment of GERD and IBS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062365-A1 Pyrazoles for the Treatment of GERD and IBS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1966150-A1 PYRAZOLES FOR THE TREATMENT OF GERD AND IBS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007073297-A1 PYRAZOLES FOR THE TREATMENT OF GERD AND IBS ASTRAZENECA AB (SE) 2007-06-28 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-20090062365-A1 Pyrazoles for the Treatment of GERD and IBS GRPR, GABRB3, GABRB1 ALDH1A1 1412/4885ELOVL1 3672/4885CRHBP 1565/4885

“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.