SCHEMBL2416799

SCHEMBL2416799

CC(C)(C)C(C(N)=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX1 P07099 6/20 0.46
ALOX5 P09917 1/20 0.46
CYP2D6 P10635 2/20 0.43
SRC P12931 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AOC3 Q16853 1/20 0.41

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
SCHEMBL22758072 0.85 ATM (0.49) ATML3MBTL1MAPTKMT2AEPHX1
SCHEMBL17357501 0.84 L3MBTL1 (0.61) ATML3MBTL1KMT2ACYP2D6SRC
SCHEMBL66018 0.84 L3MBTL1 (0.61) ATML3MBTL1KMT2ACYP2D6SRC
SCHEMBL27526887 0.83 L3MBTL1 (0.47) ATML3MBTL1MAPTKMT2AEPHX1
SCHEMBL8975800 0.83 L3MBTL1 (0.59) ATML3MBTL1KMT2ACYP2D6SRC
SCHEMBL10389938 0.81 L3MBTL1 (0.58) ATML3MBTL1MAPTKMT2ACYP2D6
SCHEMBL8870520 0.81 L3MBTL1 (0.58) ATML3MBTL1MAPTKMT2ACYP2D6
SCHEMBL1703642 0.81 ATM (0.58) ATML3MBTL1MAPTKMT2ACYP2D6
SCHEMBL1706949 0.81 ATM (0.58) ATML3MBTL1MAPTKMT2ACYP2D6
SCHEMBL28842867 0.80 L3MBTL1 (0.67) ATML3MBTL1MAPTKMT2AALOX5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102292319-A Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers 2011-12-21 CN claimed
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO claimed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
CN-102292319-A Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers 2011-12-21 CN disclosed
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 EP disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 WO disclosed
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 WO 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 (1 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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 ATM 3131/4885L3MBTL1 4862/4885MAPT 4114/4885

“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.