SCHEMBL1763000

SCHEMBL1763000

CCOC(=O)CC(=CC#N)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 6/20 0.35
TRPA1 O75762 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
CYP2C9 P11712 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
NLRP3 Q96P20 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL9408203 0.86 GAA (0.50) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL9408202 0.86 GAA (0.50) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL3108052 0.83 GAA (0.47) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL3108045 0.83 GAA (0.47) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL13155816 0.83 GAA (0.47) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL5857009 0.81 LDHA (0.40) TSHRKDM4E
SCHEMBL11363677 0.80 MGAM (0.44) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL11363678 0.80 MGAM (0.44) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL9099655 0.77 FFAR3 (0.38)
SCHEMBL9099659 0.77 FFAR3 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951811-B2 Antagonist against corticotropen releasing factor receptors; antidepressants, anxiolytic agents, Alzheimer's disease; Parkinson's disease; eating disorders; hypotensive agents; gastrointestinal disorders; drug abuse; brain disorders; antiischemic agents; antiinflammatory agents; immunotherapy; alopecia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-20080280928-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with a Cyclic Amino Group As Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-13 US disclosed
EP-1953160-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with a cyclic amino group as CRF antagonists TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-08-06 EP disclosed
EP-1758903-A1 PYRROLOPYRAMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-03-07 EP disclosed
WO-2006001511-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 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 (2 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-20080280928-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with a Cyclic Amino Group As Crf Antagonists CRHR1, CRHR2, HRH4 GAA 2442/4885MGAM 4355/4885SI 731/4885
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS CRHR1, HRH2, CRHR2 GAA 2461/4885MGAM 4407/4885SI 807/4885

“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.