SCHEMBL2080144

SCHEMBL2080144

NC(=O)C1CCN(c2cnccc2N)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP46A1 Q9Y6A2 10/20 0.48
KDM4E B2RXH2 2/20 0.45
ABL1 P00519 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3436045 0.88 CYP3A4 (0.51) CYP3A4CYP46A1KDM4EABL1LMNA
SCHEMBL3436394 0.84 CYP3A4 (0.50) CYP3A4CYP46A1KDM4EABL1LMNA
SCHEMBL16039454 0.83 CYP46A1 (0.45) CYP46A1
SCHEMBL1940737 0.82 CYP3A4 (0.67) CYP3A4CYP46A1KDM4EABL1LMNA
SCHEMBL3436398 0.81 CYP3A4 (0.50) CYP3A4CYP46A1KDM4EABL1LMNA
SCHEMBL1938489 0.81 CYP3A4 (0.50) CYP3A4CYP46A1KDM4EABL1LMNA
SCHEMBL1939980 0.80 CYP3A4 (0.49) CYP3A4CYP46A1KDM4EABL1LMNA
SCHEMBL29761207 0.79 MAPT (0.50) CYP3A4CYP46A1KDM4ELMNAGAA
SCHEMBL2077582 0.78 GAA (0.60) KDM4ELMNAGAAALDH1A1SMN1; SMN2
SCHEMBL1939057 0.77 CYP46A1 (0.58) CYP3A4CYP46A1LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101426774-B Azolecarboxamide derivative ASTELLAS PHARMA INC 2012-04-25 CN 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
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 CN 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 CYP3A4 1991/4885CYP46A1 3800/4885KDM4E 1834/4885

“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.