SCHEMBL7026232

SCHEMBL7026232

Cc1cc(C)c(N=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
RAPGEF4 Q8WZA2 5/20 0.39
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL3279378 0.83 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25574691 0.82 ALDH1A1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14539421 0.81 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25910043 0.79 IDH1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18098585 0.79 ACHE (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23426152 0.78 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1578480 0.78 KMT2A (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26162312 0.78 TTR (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13092860 0.78 ALDH1A1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10204848 0.78 GSK3B (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109051-A1 Spin trap for use in biological systems RANDOX LABORATORIES LTD (IE) 2003-06-12 US claimed
EP-1302771-A2 Spin trap for use in biological systems Randox Laboratories Ltd. (GB) 2003-04-16 EP claimed
US-4363333-A NITRIC OXIDE FILTER COMPRISING NITROSO COMPOUND ADSORBED ON ACTIVATED CARBON BRITISH-AMERICAN TOBACCO COMPANY LIMITED (GB) 1982-12-14 US claimed
EP-4269418-A1 BORATE DERIVATIVE AND USES THEREOF Reistone Biopharma Company Limited (CN) 2023-11-01 EP disclosed
EP-3153500-A1 METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
EP-1816519-B1 Novel sulfonium compound, photosensitive composition containing the compound and pattern-forming method using the photosensitive composition FUJIFILM CORP (JP) 2010-11-03 EP disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
EP-1770086-A1 Selected CGRP antagonists, process for their preparation as well as their use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-04-04 EP disclosed
US-20030109051-A1 Spin trap for use in biological systems RANDOX LABORATORIES LTD (IE) 2003-06-12 US disclosed
EP-1302771-A2 Spin trap for use in biological systems Randox Laboratories Ltd. (GB) 2003-04-16 EP disclosed
US-4363333-A NITRIC OXIDE FILTER COMPRISING NITROSO COMPOUND ADSORBED ON ACTIVATED CARBON BRITISH-AMERICAN TOBACCO COMPANY LIMITED (GB) 1982-12-14 US disclosed
US-4363333-A NITRIC OXIDE FILTER COMPRISING NITROSO COMPOUND ADSORBED ON ACTIVATED CARBON BRITISH-AMERICAN TOBACCO COMPANY LIMITED (GB) 1982-12-14 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 (2 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-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 GRIN2D 356/4885GRIN3B 533/4885GRIN1 89/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 GRIN2D 702/4885GRIN3B 804/4885GRIN1 332/4885

“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.