SCHEMBL4319902

SCHEMBL4319902

C[C@@H](N)CN1CCNC(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.45
TOP2B Q02880 2/20 0.45
PTGS1 P23219 2/20 0.40
LMNA P02545 1/20 0.40
PIK3CD O00329 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
THRB P10828 5/20 0.33
POLB P06746 1/20 0.32
SYK P43405 1/20 0.31
CDA P32320 1/20 0.31

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
SCHEMBL358913 1.00 TOP2A (0.45) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL358914 1.00 TOP2A (0.45) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL9967746 0.85 PIK3CD (0.55) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL25274359 0.82 TOP2A (0.45) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL8826610 0.82 TOP2A (0.45) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL18559638 0.82 TOP2A (0.45) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL21650590 0.81 TOP2A (0.44) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL28974533 0.79 TOP2A (0.42) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL18354053 0.79 TOP2A (0.42) TOP2ATOP2BPTGS1LMNAPIK3CD
SCHEMBL14006978 0.77 TOP2A (0.73) TOP2ATOP2BPTGS1LMNAPIK3CD

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 TOP2A 2673/4885TOP2B 2586/4885PTGS1 1971/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 TOP2A 3759/4885TOP2B 2867/4885PTGS1 908/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 TOP2A 2739/4885TOP2B 2640/4885PTGS1 1956/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 TOP2A 3759/4885TOP2B 2867/4885PTGS1 908/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 TOP2A 3759/4885TOP2B 2867/4885PTGS1 908/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 TOP2A 3759/4885TOP2B 2867/4885PTGS1 908/4885

“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.