SCHEMBL4331582

SCHEMBL4331582

CN(C)c1cc(CN)ccn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 16/20 0.52
LOX P28300 5/20 0.52
LOXL3 P58215 1/20 0.52
ROCK1 Q13464 1/20 0.41
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
EED O75530 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
SCHEMBL805472 0.82 NOS3 (0.53) NOS3NOS1NOS2ADORA2AADORA1
SCHEMBL18223799 0.81 ADORA2A (0.47) LOXL2LOXLOXL3NOS3NOS1
SCHEMBL1319117 0.80 HRH3 (0.54) LOXL2LOXLOXL3ROCK1
Hydrochloric Acid SCHEMBL18224003 0.80 ADORA2A (0.46) LOXL2LOXLOXL3NOS3NOS1
SCHEMBL31627727 0.80 RECQL (0.52) NOS3NOS1NOS2ADORA2AADORA1
SCHEMBL12583162 0.80 EED (0.36) LOXL2LOXLOXL3NOS3NOS1
SCHEMBL2544342 0.80 RECQL (0.52) NOS3NOS1NOS2ADORA2AADORA1
SCHEMBL12553834 0.80 EED (0.36) LOXL2LOXLOXL3NOS3NOS1
SCHEMBL1941426 0.80 EED (0.36) LOXL2LOXLOXL3NOS3NOS1
SCHEMBL17993854 0.79 LOXL2 (0.44) LOXL2LOXLOXL3ROCK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737875-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-08-22 US claimed
CN-104620104-B Affinity Reagents for Protein Purification 非凡食品有限公司 2017-03-01 CN claimed
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-05-31 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-20170037042-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-09 US disclosed
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP disclosed
EP-2755970-B1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-03-30 EP disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 US disclosed
US-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-08-28 US disclosed
EP-2592070-A2 Tetrazole-substituted arylamides F. Hoffmann-La Roche AG (CH) 2013-05-15 EP disclosed
US-20130065859-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-03-14 US disclosed
EP-2567958-A1 Substituted 2-(chroman-6-yloxy)-thiazoles and their use as pharmaceuticals SANOFI (FR) 2013-03-13 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 (10 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 LOXL2 294/4885LOX 980/4885LOXL3 246/4885
US-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, P2RX1 LOXL2 3530/4885LOX 1631/4885LOXL3 2623/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 LOXL2 2026/4885LOX 2421/4885LOXL3 814/4885
US-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, CACNA1E, SLC8B1 LOXL2 3697/4885LOX 1593/4885LOXL3 3142/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 LOXL2 303/4885LOX 1065/4885LOXL3 264/4885
US-20130065859-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, RYR1 LOXL2 4049/4885LOX 2116/4885LOXL3 3132/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 LOXL2 2026/4885LOX 2421/4885LOXL3 814/4885
US-20170037042-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, P2RX1 LOXL2 3530/4885LOX 1631/4885LOXL3 2623/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 LOXL2 2026/4885LOX 2421/4885LOXL3 814/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 LOXL2 2026/4885LOX 2421/4885LOXL3 814/4885

“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.