SCHEMBL5767016

SCHEMBL5767016

CN(C)c1ccc(CNN(C=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC2 Q92769 2/20 0.36

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
SCHEMBL5373022 0.83 ADH1B (0.42) CA1CA2CA12CYP3A4TDP1
SCHEMBL7061205 0.81 RAB9A (0.40) ALDH1A1KDM4EHTTL3MBTL1RAB9A
SCHEMBL7062337 0.75 FAAH (0.33) ALDH1A1TSHRTDP1HTTMAPT
SCHEMBL5767277 0.75 ESR1 (0.41) CA1CA2
SCHEMBL7064438 0.73 CYP1A2 (0.49) ALDH1A1CYP3A4TDP1KDM4EHTT
SCHEMBL7059655 0.70 TSHR (0.41) ALDH1A1MAPK1TSHRTDP1KDM4E
SCHEMBL30945860 0.69 ALDH1A1 (0.61) MMP8CA1CA2CA9CA12
SCHEMBL3306932 0.69 ADH1B (0.55) MMP8CA1CA2CA9CA12
SCHEMBL6762362 0.69 RIPK1 (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL7061210 0.69 SMN1; SMN2 (0.42) ALDH1A1KDM4EL3MBTL1NPC1RAB9A

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
EP-1244660-B1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-03-22 EP disclosed
US-20030181449-A1 Methods and compositions for the treatment of pain ASTRAZENCA AB (SE) 2003-09-25 US disclosed
EP-1244660-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2002-10-02 EP disclosed
WO-2001047924-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 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 (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-20030181449-A1 Methods and compositions for the treatment of pain OPRK1, ACHE, OPRD1 MMP8 254/4885CA1 590/4885CA2 1098/4885

“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.