SCHEMBL4615368

SCHEMBL4615368

CC(C)(C)OC(=O)N1CCN(c2cccc([N+](=O)[O-])c2C#N)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
LMNA P02545 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MET P08581 1/20 0.47
GRM5 P41594 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.42
KCNH2 Q12809 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ENPP2 Q13822 3/20 0.41
GPR119 Q8TDV5 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
SCHEMBL4435451 0.85 MAPT (0.63) MAPTLMNAALDH1A1METGRM5
SCHEMBL30998112 0.85 MAPT (0.63) MAPTLMNAALDH1A1METGRM5
SCHEMBL1247295 0.84 MAPT (0.59) MAPTLMNAALDH1A1METGRM5
SCHEMBL6845368 0.83 MAPT (0.56) MAPTLMNAALDH1A1METGRM5
SCHEMBL29608605 0.83 MAPT (0.58) MAPTLMNAALDH1A1METGRM5
SCHEMBL28773828 0.83 MAPT (0.58) MAPTLMNAALDH1A1METGRM5
SCHEMBL2977592 0.82 ALDH1A1 (0.63) MAPTLMNAALDH1A1METGRM5
SCHEMBL24130446 0.82 MAPT (0.57) MAPTLMNAALDH1A1METGRM5
SCHEMBL30481715 0.82 MAPT (0.57) MAPTLMNAALDH1A1METGRM5
SCHEMBL4613893 0.82 MAPT (0.49) MAPTLMNAALDH1A1METKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548884-B2 Cyclic amidine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-01-10 US disclosed
EP-3847170-B1 NOVEL CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed
US-20210340134-A1 CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-11-04 US disclosed
EP-3847170-A1 NOVEL CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP disclosed
CN-112654618-A Novel cyclic amidine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-13 CN disclosed
US-7365063-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-7365063-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-7365063-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
EP-1708713-B1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM HOFFMANN LA ROCHE (CH) 2008-03-12 EP disclosed
US-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-06-28 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
EP-1708713-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. Hoffman-la Roche AG (CH) 2006-10-11 EP disclosed
WO-2005067933-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D) (1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 WO disclosed
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-07-28 US disclosed
US-6906066-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-6875776-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-04-05 US disclosed
US-6605623-B1 Prevention of asthma and other allergic diseases BRISTOL-MYERS SQUIBB PHARMA CO. 2003-08-12 US disclosed
US-6444686-B1 FOR THE PREVENTION OF ASTHMA AND OTHER ALLERGIC DISEASES. BRSITOL-MYERS SQUIBB PHARMA COMPANY 2002-09-03 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 (4 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-11548884-B2 Cyclic amidine compounds for the treatment of autoimmune disease TLR9, TLR7, TLR8 MAPT 4192/4885LMNA 2630/4885ALDH1A1 4609/4885
US-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 MAPT 4544/4885LMNA 425/4885ALDH1A1 1177/4885
US-20210340134-A1 CYCLIC AMIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR9, TLR7, TLR8 MAPT 4192/4885LMNA 2630/4885ALDH1A1 4609/4885
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 MAPT 4544/4885LMNA 425/4885ALDH1A1 1177/4885

“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.