SCHEMBL2077907

SCHEMBL2077907

CC(C)(C)OC(=O)N1CCCC(O)(C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSK P43235 1/20 0.43
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 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
SCHEMBL1973674 0.94 USP2 (0.49) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL10163302 0.88 MEN1 (0.44) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL13993957 0.85 USP2 (0.42) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL1118226 0.81 USP2 (0.49) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL13064565 0.81 HPGD (0.43) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL22078891 0.79 MEN1 (0.44) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL2110226 0.78 USP2 (0.49) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL5524618 0.78 HPGD (0.49) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL2887782 0.78 USP2 (0.49) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL23070778 0.78 USP2 (0.46) HPGDMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HPGD 1166/4885MEN1 4778/4885KMT2A 1707/4885

“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.