SCHEMBL4317775

SCHEMBL4317775

CC(=O)N1C(C)CN(C[C@@H](C)N)CC1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ARG1 P05089 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ GABRP O00591 2/20 0.31
▸ GABRD O14764 2/20 0.31
▸ GABRA1 P14867 2/20 0.31
▸ GABRB1 P18505 2/20 0.31
▸ GABRG2 P18507 2/20 0.31
▸ GABRB3 P28472 2/20 0.31
▸ GABRA5 P31644 2/20 0.31
▸ GABRA3 P34903 2/20 0.31
▸ GABRA2 P47869 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ GABRA4 P48169 2/20 0.31
▸ GABRE P78334 2/20 0.31
▸ GABRA6 Q16445 2/20 0.31
▸ GABRG1 Q8N1C3 2/20 0.31
▸ GABRG3 Q99928 2/20 0.31
▸ GABRQ Q9UN88 2/20 0.31
▸ DPP4 P27487 2/20 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
SCHEMBL10237829 0.85 PIK3CD (0.48) ARG1SMN1; SMN2PIK3CD
SCHEMBL4322524 0.78 SMN1; SMN2 (0.39) ARG1SMN1; SMN2PIK3CD
SCHEMBL4326895 0.78 SMN1; SMN2 (0.39) ARG1SMN1; SMN2PIK3CD
SCHEMBL8406292 0.75 SLC6A3 (0.33) ARG1PIK3CD
SCHEMBL25701696 0.75 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL14067190 0.75 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL15343434 0.75 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL30479891 0.72 POLB (0.42) ARG1GABRPGABRDGABRA1GABRB1
SCHEMBL20008996 0.71 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL20009038 0.71 SMN1; SMN2 (0.39) SMN1; SMN2

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 ARG1 2435/4885SMN1; SMN2 1569/4885PIK3CD 2112/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 ARG1 2278/4885SMN1; SMN2 2345/4885PIK3CD 1726/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 ARG1 2461/4885SMN1; SMN2 1527/4885PIK3CD 2126/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 ARG1 2278/4885SMN1; SMN2 2345/4885PIK3CD 1726/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 ARG1 2278/4885SMN1; SMN2 2345/4885PIK3CD 1726/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 ARG1 2278/4885SMN1; SMN2 2345/4885PIK3CD 1726/4885

“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.

Send feedback