SCHEMBL10172770

SCHEMBL10172770

CC(C)(C)OCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CHRNA7 P36544 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP2A6 P11509 1/20 0.43
NAPRT Q6XQN6 1/20 0.43

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
SCHEMBL15677593 0.85 CHRNB2 (0.46) CHRNB2CHRNA4CYP1A2CYP2D6CHRNA7
SCHEMBL26806573 0.85 CYP1A2 (0.47) CHRNB2CHRNA4CYP1A2CYP2D6CHRNA7
SCHEMBL21844332 0.84 CHRNB2 (0.46) CHRNB2CHRNA4CYP1A2CYP2D6CHRNA7
SCHEMBL10202878 0.82 CHRNB2 (0.43) CHRNB2CHRNA4CYP1A2CYP2D6CHRNA7
SCHEMBL28795779 0.82 EPHX2 (0.57) CYP1A2CYP2A6
SCHEMBL17102177 0.80 SLC16A3 (0.57) CYP1A2TDP1NAPRT
SCHEMBL14498994 0.79 L3MBTL1 (0.57) CYP1A2CYP2D6CHRNA7L3MBTL1TDP1
SCHEMBL10263684 0.79 CHRNB2 (0.45) CHRNB2CHRNA4CYP1A2CYP2D6CHRNA7
SCHEMBL10202643 0.78 CHRM2 (0.48) CHRNB2CHRNA4CYP1A2CYP2D6CHRNA7
SCHEMBL445750 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238324-A1 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 Atea Pharmaceuticals, Inc. (US) 2024-07-18 US disclosed
US-20240238324-A1 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 Atea Pharmaceuticals, Inc. (US) 2024-07-18 US disclosed
US-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides UCB PHARMA GMBH (DE) 2024-03-26 US disclosed
US-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides UCB PHARMA GMBH (DE) 2024-03-26 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 US disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 US disclosed
US-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 US disclosed
US-11707480-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-07-25 US disclosed
US-7928135-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2011-04-19 US disclosed
US-7906529-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2011-03-15 US disclosed
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-02-10 US disclosed
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2009-06-25 US disclosed
US-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-01-22 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 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 (12 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 CHRNB2 583/4885CHRNA4 482/4885CYP1A2 667/4885
US-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC6 CHRNB2 4595/4885CHRNA4 4660/4885CYP1A2 4444/4885
US-11707480-B2 Highly active compounds against COVID-19 PNP, MTAP, ACE2 CHRNB2 4551/4885CHRNA4 4338/4885CYP1A2 4042/4885
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 CHRNB2 4855/4885CHRNA4 4716/4885CYP1A2 1290/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 CHRNB2 4837/4885CHRNA4 4883/4885CYP1A2 2269/4885
US-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP CHRNB2 4685/4885CHRNA4 4728/4885CYP1A2 1898/4885
US-11738038-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP CHRNB2 4685/4885CHRNA4 4728/4885CYP1A2 1898/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF CHRNB2 4568/4885CHRNA4 4673/4885CYP1A2 1599/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 CHRNB2 4855/4885CHRNA4 4716/4885CYP1A2 1290/4885
US-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides GPR17, GPR18, GPR119 CHRNB2 368/4885CHRNA4 238/4885CYP1A2 1013/4885
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 CHRNB2 2384/4885CHRNA4 858/4885CYP1A2 140/4885
US-20240238324-A1 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 PNP, MTAP, ACE2 CHRNB2 4551/4885CHRNA4 4338/4885CYP1A2 4042/4885

“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.