SCHEMBL2769952

SCHEMBL2769952

CCOC(=O)c1coc(N2CCC(Oc3ccc(=O)[nH]n3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
HRH3 Q9Y5N1 6/20 0.39
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
NLRP3 Q96P20 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
LCAT P04180 1/20 0.33

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
SCHEMBL13634229 0.86 HRH3 (0.40) ALDH1A1HRH3KCNH2GAACYP2C19
SCHEMBL13634244 0.82 HRH3 (0.42) ALDH1A1HRH3KCNH2LMNAGAA
SCHEMBL3435992 0.81 HCRTR1 (0.44) ALDH1A1HCRTR1HCRTR2HRH3LMNA
SCHEMBL15888646 0.81 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL15888649 0.80 NAAA (0.43) HCRTR1HCRTR2
SCHEMBL15888604 0.79 DPP4 (0.45) HCRTR1HCRTR2KCNH2AXLMERTK
SCHEMBL15888554 0.78 HCRTR1 (0.44) ALDH1A1HCRTR1HCRTR2GAACYP2C19
SCHEMBL10278249 0.78 HCRTR1 (0.46) ALDH1A1HCRTR1HCRTR2LMNANLRP3
SCHEMBL15888551 0.78 HCRTR1 (0.44) ALDH1A1HCRTR1HCRTR2HRH3LMNA
SCHEMBL15888605 0.77 HCRTR1 (0.45) ALDH1A1HCRTR1HCRTR2LMNANLRP3

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-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 ALDH1A1 1659/4885HCRTR1 708/4885HCRTR2 597/4885

“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.