SCHEMBL5108969

SCHEMBL5108969

CC(C)c1cncc(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
CYP11B2 P19099 3/20 0.38
CYP11B1 P15538 2/20 0.38
KDM5B Q9UGL1 1/20 0.37
KDM4E B2RXH2 1/20 0.33
DYRK1A Q13627 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
AR P10275 1/20 0.31
S1PR1 P21453 1/20 0.31
NPBWR1 P48145 1/20 0.30
MCHR1 Q99705 1/20 0.30
NOS1 P29475 3/20 0.30
NOS2 P35228 3/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL798986 0.81 GPR55 (0.38) CYP2A6PRMT5WDR77NOS1NOS2
SCHEMBL14297741 0.80
SCHEMBL26169682 0.80 CYP2A6 (0.36) CYP2A6CYP11B2CYP11B1KDM5BS1PR1
SCHEMBL12120613 0.79 GABRA1 (0.33) PRMT5WDR77S1PR1NOS1NOS2
SCHEMBL3508697 0.79 PRMT5 (0.40) PRMT5WDR77NOS1NOS2
SCHEMBL22774744 0.79 CYP2A6 (0.38) CYP2A6CYP11B2CYP11B1KDM4EPRMT5
SCHEMBL12461866 0.78 CHRNB2 (0.35) PRMT5WDR77NOS1NOS2
SCHEMBL13547446 0.77 NAPRT (0.44) CYP11B2CYP11B1KDM4E
SCHEMBL12599364 0.77 POLB (0.39) CYP11B2CYP11B1PRMT5WDR77
SCHEMBL2728918 0.77 CYP2A6 (0.47) CYP2A6CYP11B2CYP11B1KDM4EDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240018138-A1 PYRIDO[4,3-b]INDOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS VENTUS THERAPEUTICS U.S., INC. 2024-01-18 US disclosed
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-08 US disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO disclosed
US-11028068-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-06-08 US disclosed
US-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 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 (11 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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 CYP2A6 3314/4885CYP11B2 1248/4885CYP11B1 1017/4885
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 CYP2A6 69/4885CYP11B2 50/4885CYP11B1 80/4885
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF MPO, SSB, SGMS2 CYP2A6 3569/4885CYP11B2 1644/4885CYP11B1 2087/4885
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 CYP2A6 3691/4885CYP11B2 1815/4885CYP11B1 1235/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 CYP2A6 942/4885CYP11B2 130/4885CYP11B1 55/4885
US-20240018138-A1 PYRIDO[4,3-b]INDOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CGAS, LRRK2, ADSS2 CYP2A6 1921/4885CYP11B2 291/4885CYP11B1 262/4885
US-11028068-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 CYP2A6 4127/4885CYP11B2 856/4885CYP11B1 1079/4885
US-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 CYP2A6 653/4885CYP11B2 333/4885CYP11B1 529/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C CYP2A6 2263/4885CYP11B2 1964/4885CYP11B1 1748/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 CYP2A6 3035/4885CYP11B2 1121/4885CYP11B1 735/4885
US-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS CCR6, CCR1, CCR3 CYP2A6 197/4885CYP11B2 1193/4885CYP11B1 1399/4885

“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.