SCHEMBL3466840

SCHEMBL3466840

CN(CCOc1ccccc1C1(N)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
RBP4 P02753 2/20 0.38
HRH1 P35367 1/20 0.38
SLC6A9 P48067 1/20 0.38
HTR7 P34969 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL3468332 0.93 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2L3MBTL1RBP4
SCHEMBL19384148 0.85 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL524534 0.85 HDAC1 (0.39) KDM4EALDH1A1SMN1; SMN2L3MBTL1RBP4
SCHEMBL19384155 0.82 HTR1D (0.56) SMN1; SMN2L3MBTL1LMNA
SCHEMBL3468335 0.81 PDK2 (0.40) KDM4EALDH1A1SMN1; SMN2RBP4SLC6A9
SCHEMBL524535 0.80 MEN1 (0.39) KDM4EALDH1A1L3MBTL1LMNAHRH1
Trifluoroacetic Acid SCHEMBL523116 0.80 RBP4 (0.39) KDM4EALDH1A1LMNARBP4HRH1
Trifluoroacetic Acid SCHEMBL523117 0.75 LPAR1 (0.37) L3MBTL1
SCHEMBL16524239 0.75 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL25388128 0.75 HTR7 (0.66) KDM4EALDH1A1SMN1; SMN2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 US disclosed
US-8969350-B2 Pharmaceutical product comprising a p38 kinase inhibitor and a second active ingredient ASTRAZENECA AB (SE) 2015-03-03 US disclosed
WO-2010071583-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-06-24 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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 KDM4E 2414/4885ALDH1A1 1934/4885SMN1; SMN2 3152/4885

“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.