SCHEMBL357027

SCHEMBL357027

CC(CN1CCOCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
ALDH1A1 P00352 2/20 0.46
CTSL P07711 3/20 0.44
CTSB P07858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 2/20 0.44
CTSD P07339 1/20 0.42
CTSS P25774 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ANPEP P15144 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2255069 1.00 CTSK (0.49) CTSKALDH1A1CTSLCTSBSMN1; SMN2
SCHEMBL12260408 1.00 CTSK (0.49) CTSKALDH1A1CTSLCTSBSMN1; SMN2
SCHEMBL18534563 0.86 CTSK (0.48) CTSKCTSLCTSBCTSSCA1
SCHEMBL7510900 0.86 CTSK (0.48) CTSKCTSLCTSBCTSSCA1
SCHEMBL12420756 0.86 CTSK (0.48) CTSKCTSLCTSBCTSSCA1
SCHEMBL4984224 0.86 CTSK (0.47) CTSKALDH1A1CTSLCTSBSMN1; SMN2
SCHEMBL4984232 0.86 CTSK (0.47) CTSKALDH1A1CTSLCTSBSMN1; SMN2
SCHEMBL18012161 0.85 CTSK (0.51) CTSKALDH1A1CTSLCTSBCTSS
Ammonia Solution, Strong SCHEMBL4701521 0.85 CTSK (0.47) CTSKCTSLCTSBCTSSCA1
SCHEMBL21125085 0.85 CTSK (0.47) CTSKCTSLCTSBCTSSCA1

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 85 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
US-20090163472-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS AND METHODS OF USE ELI LILLY AND COMPANY 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-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 (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 CTSK 3593/4885ALDH1A1 4283/4885CTSL 3956/4885
US-20090163472-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS AND METHODS OF USE NR3C2, MC2R, REN CTSK 4467/4885ALDH1A1 1349/4885CTSL 4576/4885
US-20170182057-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 CTSK 4546/4885ALDH1A1 1117/4885CTSL 4461/4885
US-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 CTSK 3895/4885ALDH1A1 2011/4885CTSL 3955/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 CTSK 3638/4885ALDH1A1 4311/4885CTSL 4001/4885
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 CTSK 4039/4885ALDH1A1 1621/4885CTSL 4391/4885
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 CTSK 4192/4885ALDH1A1 947/4885CTSL 3942/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 CTSK 3897/4885ALDH1A1 2080/4885CTSL 3719/4885
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 CTSK 3630/4885ALDH1A1 1946/4885CTSL 3756/4885
US-20170057932-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 CTSK 4348/4885ALDH1A1 1877/4885CTSL 4157/4885

“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.