SCHEMBL19384152

SCHEMBL19384152

CN(CCOc1ccccc1CC#N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH1 P35367 3/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL19384151 0.84 HRH1 (0.46) KDM4EALDH1A1SMN1; SMN2HRH1DRD2
SCHEMBL19384157 0.81 HTR1D (0.58) HRH1DRD2DRD1DRD4DRD5
SCHEMBL3470698 0.81 SMN1; SMN2 (0.49) KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL25388128 0.76 HTR7 (0.66) KDM4EALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2936654 0.75 L3MBTL1 (0.59) KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7030837 0.75 MEN1 (0.46) KDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL22551906 0.75 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL7781498 0.75 L3MBTL1 (0.47) KDM4EALDH1A1HRH1DRD2DRD1
SCHEMBL28086775 0.74 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2HRH1DRD2
SCHEMBL9570663 0.74 L3MBTL1 (0.42) KDM4EALDH1A1SMN1; SMN2HRH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190100498-A1 CRYSTALLINE FORM ASTRAZENECA AB (SE) 2019-04-04 US disclosed
EP-3433237-A1 CRYSTALLINE FORM Astrazeneca AB (SE) 2019-01-30 EP disclosed
WO-2017162304-A1 CRYSTALLINE FORM ASTRAZENECA AB (SE) 2017-09-28 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-20190100498-A1 CRYSTALLINE FORM GYS2, PYGL, SFPQ KDM4E 4682/4885ALDH1A1 1587/4885SMN1; SMN2 2773/4885

“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.