SCHEMBL2771960

SCHEMBL2771960

COC(=O)c1cc(C2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
ABCB1 P08183 2/20 0.49
PGR P06401 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1C Q13936 1/20 0.49

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
SCHEMBL13638799 0.83 DRD4 (0.52) CCR5ADRA2ASLC6A2ADRA1ADRD3
SCHEMBL1546481 0.83 HTT (0.56) CCR5ALDH1A1LMNA
SCHEMBL13634368 0.82 BLM (0.55) CCR5ALDH1A1LMNASIGMAR1KDM4E
SCHEMBL1546958 0.80 MAPK1 (0.49) LMNASIGMAR1DRD2
SCHEMBL13634181 0.79 SIRT6 (0.49) ALDH1A1LMNAKDM4E
SCHEMBL13163912 0.78 SIRT6 (0.48) ALDH1A1LMNAABCB1PGRCHRM2
SCHEMBL5667366 0.78 CCR5 (0.50) CCR5ALDH1A1LMNASIGMAR1
SCHEMBL13163915 0.77 ALDH1A1 (0.61) ALDH1A1LMNASIGMAR1KDM4E
SCHEMBL13634261 0.77 SIRT6 (0.51) ALDH1A1LMNAKDM4E
SCHEMBL15888503 0.76 SIRT6 (0.50) ALDH1A1LMNAABCB1PGRCHRM2

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US 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 CCR5 889/4885ALDH1A1 1659/4885LMNA 4603/4885

“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.