SCHEMBL4317035

SCHEMBL4317035

CC1CN(C[CH]C(N)=O)C[C@@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
PDK1 Q15118 1/20 0.36
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL4328953 0.78 PIK3CD (0.40)
SCHEMBL4317142 0.76 APEX1 (0.32)
SCHEMBL4317773 0.75 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL3378729 0.75 MAPK8 (0.51) MAPK8EBPSIGMAR1KMT2AMEN1
SCHEMBL3378727 0.75 MAPK8 (0.51) MAPK8EBPSIGMAR1KMT2AMEN1
SCHEMBL4333641 0.75 DPP4 (0.30)
SCHEMBL4332116 0.74 ATM (0.31) TSHR
SCHEMBL16764751 0.74 SIGMAR1 (0.44) EBPSIGMAR1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4745932 0.74 SIGMAR1 (0.44) EBPSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL4000984 0.74 SIGMAR1 (0.44) EBPSIGMAR1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 US disclosed
US-8846945-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists DILLON MICHAEL PATRICK (US) 2014-09-30 US disclosed
EP-2592070-A2 Tetrazole-substituted arylamides F. Hoffmann-La Roche AG (CH) 2013-05-15 EP disclosed
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK (US) 2012-08-23 US disclosed
US-8193368-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-06-05 US disclosed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 US disclosed
US-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 US 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 (6 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-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 MAPK8 2070/4885EBP 3213/4885SIGMAR1 204/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 MAPK8 2941/4885EBP 3564/4885SIGMAR1 763/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 MAPK8 2088/4885EBP 3221/4885SIGMAR1 216/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 MAPK8 2941/4885EBP 3564/4885SIGMAR1 763/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 MAPK8 2941/4885EBP 3564/4885SIGMAR1 763/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 MAPK8 2941/4885EBP 3564/4885SIGMAR1 763/4885

“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.