SCHEMBL13161998

SCHEMBL13161998

COC(=O)c1cc(CN2CCOCC2)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
MAPK1 P28482 2/20 0.55
HCRTR1 O43613 1/20 0.54
HCRTR2 O43614 1/20 0.54
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.50
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
STAT3 P40763 1/20 0.49
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL13162651 0.95 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1HCRTR1HCRTR2RAB9A
SCHEMBL27811750 0.88 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1RAB9ANPC1KMT2A
SCHEMBL13163135 0.87 SIGMAR1 (0.50) SMN1; SMN2MAPK1HCRTR1HCRTR2RAB9A
SCHEMBL17478866 0.86 HCRTR1 (0.56) SMN1; SMN2MAPK1HCRTR1HCRTR2RAB9A
SCHEMBL2774659 0.86 ALDH1A1 (0.59) SMN1; SMN2MAPK1HCRTR1HCRTR2RAB9A
SCHEMBL13162661 0.85 HTT (0.54) SMN1; SMN2RAB9ANPC1KMT2AHTT
SCHEMBL13634492 0.85 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL2769406 0.85 ALDH1A1 (0.58) SMN1; SMN2MAPK1HCRTR1HCRTR2RAB9A
SCHEMBL13162380 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1RAB9ANPC1KDM4E
SCHEMBL13162646 0.84 CRHBP (0.58) SMN1; SMN2KDM4EALDH1A1NPSR1KMT2A

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 SMN1; SMN2 3213/4885MAPK1 307/4885HCRTR1 708/4885

“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.