SCHEMBL357504

SCHEMBL357504

[CH2]N1CC(C)N(C(C)=O)C(C)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CHRNB2 P17787 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
CHRNB4 P30926 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL14590483 0.78 CHRNB2 (0.48) SMN1; SMN2CHRNB2CHRNA3CHRNA4MAPT
SCHEMBL357505 0.78 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA3CHRNA4MAPT
SCHEMBL799017 0.78 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA3CHRNA4MAPT
SCHEMBL18081175 0.78 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA3CHRNA4MAPT
SCHEMBL16473474 0.76 SMN1; SMN2 (0.42) SMN1; SMN2CHRNB2CHRNA3CHRNA4MAPT
SCHEMBL15956427 0.74 SMN1; SMN2 (0.40) SMN1; SMN2CHRNB2CHRNA3CHRNA4MAPT
SCHEMBL13827669 0.74 SMN1; SMN2 (0.50) SMN1; SMN2MAPTTSHRGAA
SCHEMBL13827670 0.74 SMN1; SMN2 (0.50) SMN1; SMN2MAPTTSHRGAA
SCHEMBL418958 0.74 SMN1; SMN2 (0.50) SMN1; SMN2MAPTTSHRGAA
SCHEMBL14067190 0.73 SMN1; SMN2 (0.39) SMN1; SMN2CHRNB2CHRNA3CHRNA4MAPT

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 77 patents — showing the first 20. 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-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 US disclosed
US-9849136-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2017-12-26 US disclosed
US-20170182057-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-06-29 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-9617254-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2017-04-11 US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 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-20170057932-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-02 US disclosed
US-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 US disclosed
WO-2009077366-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND /OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077367-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077365-A1 NOVEL IMIDAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077371-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
EP-2038264-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-06-05 US disclosed
WO-2008055840-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed
WO-2008000645-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO 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 (9 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 SMN1; SMN2 1569/4885CHRNB2 559/4885CHRNA3 515/4885
US-20170182057-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 SMN1; SMN2 3216/4885CHRNB2 1036/4885CHRNA3 256/4885
US-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 SMN1; SMN2 3507/4885CHRNB2 469/4885CHRNA3 135/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 SMN1; SMN2 1527/4885CHRNB2 561/4885CHRNA3 533/4885
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 SMN1; SMN2 3274/4885CHRNB2 714/4885CHRNA3 140/4885
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 SMN1; SMN2 3301/4885CHRNB2 824/4885CHRNA3 292/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 SMN1; SMN2 2345/4885CHRNB2 778/4885CHRNA3 198/4885
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 SMN1; SMN2 3247/4885CHRNB2 696/4885CHRNA3 128/4885
US-20170057932-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 SMN1; SMN2 3278/4885CHRNB2 596/4885CHRNA3 127/4885

“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.