SCHEMBL1908532

SCHEMBL1908532

CCc1cc(C(C)(C)C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
CYP1A2 P05177 2/20 0.46
KIF11 P52732 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ALDH1A1 P00352 4/20 0.36
SREBF1 P36956 1/20 0.36
SREBF2 Q12772 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PRKCI P41743 1/20 0.36

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
SCHEMBL10263214 0.86 CYP1A2 (0.44) POLBCYP1A2CYP3A4CYP2D6PSEN1
SCHEMBL19190970 0.84 CYP1A2 (0.43) POLBCYP1A2CYP3A4CYP2D6PSEN1
SCHEMBL10164056 0.84 CYP1A2 (0.47) POLBCYP1A2CYP3A4CYP2D6PSEN1
SCHEMBL16544502 0.84 KDM4E (0.50) POLBKIF11CYP3A4CYP2D6PSEN1
SCHEMBL25754723 0.83 KIF11 (0.53) POLBCYP1A2KIF11CYP3A4CYP2D6
SCHEMBL21923243 0.82 KIF11 (0.39) POLBCYP1A2KIF11ALDH1A1MEN1
SCHEMBL2616106 0.82 NOS3 (0.52) POLBCYP1A2CYP3A4CYP2D6PSEN1
SCHEMBL1908511 0.82 KIF11 (0.39) POLBCYP1A2KIF11CYP3A4ALDH1A1
SCHEMBL8532984 0.82 KIF11 (0.39) POLBCYP1A2KIF11ALDH1A1MEN1
SCHEMBL4873805 0.82 KIF11 (0.39) POLBCYP1A2KIF11CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290328-A Hydrocarbon pyridine and preparation method thereof 北京师范大学 2024-07-05 CN disclosed
CN-117945995-A Alkylated nitrogen-containing heterocyclic compound and preparation method and application thereof 中国科学院青海盐湖研究所 2024-04-30 CN disclosed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 US disclosed
US-20230276690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-08-31 US disclosed
US-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-06 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 US disclosed
US-20080221087-A1 Substituted lactams as inhibitors of abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-11 US disclosed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-7390896-B2 Cyclic malonamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-06-24 US disclosed
US-7390802-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-06-24 US disclosed
US-20080103128-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF ABETTA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-05-01 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-7342008-B2 Containing a benzodiazepine ring; 2-Cyclopentylmethyl-3(S)-hydroxyl-1-oxo-5-phenylpentyl)amino-1-methyl-5-(4-fluoro-phenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one; Alzheimer's disease and Down's Syndrome; prevent the formation of neurological deposits of amyloid protein BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-11 US disclosed
US-7276495-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US disclosed
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-01 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-20080221087-A1 Substituted lactams as inhibitors of abeta protein production BACE1, APP, APH1A POLB 1993/4885CYP1A2 1570/4885KIF11 4451/4885
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production APP, BACE1, APH1A POLB 2623/4885CYP1A2 2959/4885KIF11 4150/4885
US-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, AOC2, EPCAM POLB 2024/4885CYP1A2 585/4885KIF11 2297/4885
US-20230276690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME L1CAM, TELO2, LIMS1 POLB 2967/4885CYP1A2 1484/4885KIF11 2928/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 POLB 2408/4885CYP1A2 4757/4885KIF11 4463/4885
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR POLB 4579/4885CYP1A2 3604/4885KIF11 3552/4885
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK1G1 POLB 2188/4885CYP1A2 2492/4885KIF11 1762/4885
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS POLB 2896/4885CYP1A2 250/4885KIF11 1667/4885
US-20080103128-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF ABETTA PROTEIN PRODUCTION APH1A, APH1B, APP POLB 1673/4885CYP1A2 2243/4885KIF11 4161/4885
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 POLB 4764/4885CYP1A2 417/4885KIF11 4868/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 POLB 3767/4885CYP1A2 847/4885KIF11 4416/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 POLB 752/4885CYP1A2 329/4885KIF11 3560/4885

“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.