SCHEMBL5352263

SCHEMBL5352263

CCNCc1cccc(C)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 2/20 0.47
IDO1 P14902 2/20 0.47
DNM1 Q05193 1/20 0.46
MMP13 P45452 1/20 0.45
ACHE P22303 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CXCR4 P61073 3/20 0.43
KCNN3 Q9UGI6 1/20 0.42
BACE1 P56817 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 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
SCHEMBL9737112 0.89 TAAR1 (0.54) TAAR1ALDH1A1CYP2D6IDO1DNM1
SCHEMBL5909429 0.87 PARP1 (0.47) ALDH1A1CYP2D6CXCR4CYP1A2CYP2C19
SCHEMBL4911510 0.85 MEN1 (0.54) TAAR1ALDH1A1CYP2D6IDO1DNM1
SCHEMBL10077141 0.84 CYP2D6 (0.50) TAAR1ALDH1A1CYP2D6IDO1DNM1
SCHEMBL4916688 0.83 MEN1 (0.52) TAAR1ALDH1A1CYP2D6IDO1DNM1
SCHEMBL4917404 0.83 MEN1 (0.52) TAAR1ALDH1A1CYP2D6IDO1DNM1
SCHEMBL5034657 0.83 MEN1 (0.52) TAAR1ALDH1A1CYP2D6IDO1DNM1
Hydrochloric Acid SCHEMBL31169759 0.82 CYP2D6 (0.53) TAAR1ALDH1A1CYP2D6IDO1DNM1
SCHEMBL15705379 0.82 CHRM2 (0.50) TAAR1ALDH1A1CYP2D6IDO1DNM1
SCHEMBL27451191 0.82 TAAR1 (0.47) TAAR1ALDH1A1CYP2D6IDO1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636787-B Compound with Tau protein inhibition activity and preparation method thereof 北京理工大学 2024-10-18 CN disclosed
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 EP disclosed
CN-115636787-A Compound with Tau protein inhibitory activity and preparation method thereof 北京理工大学 2023-01-24 CN disclosed
EP-4104901-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS Lead Discovery Center GmbH (DE) 2022-12-21 EP disclosed
WO-2021101919-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 WO disclosed
US-20210139477-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-13 US disclosed
US-10806726-B2 Methods of using indazole-3-carb oxamides and their use as Wnt/B-catenin signaling pathway inhibitors SAMUMED, LLC (US) 2020-10-20 US disclosed
EP-1732607-B1 POLYMERIC PRODRUG WITH A SELF-IMMOLATIVE LINKER ASCENDIS PHARMA GMBH (DE) 2019-05-15 EP disclosed
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
US-20180185343-A1 METHODS OF USING INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-05 US disclosed
US-7482359-B2 Androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US disclosed
US-20070269405-A1 Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2007-11-22 US disclosed
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 US disclosed
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-05-25 US disclosed
CN-1662487-A Amide linker peroxisome proliferator-activated receptor modulators LILLY CO ELI (US) 2005-08-31 CN disclosed
EP-1517882-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-30 EP disclosed
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 WO disclosed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 WO 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 (7 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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 TAAR1 4627/4885ALDH1A1 458/4885CYP2D6 189/4885
US-20210139477-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF ALK, ALKBH5, ACVR1 TAAR1 2930/4885ALDH1A1 235/4885CYP2D6 3957/4885
US-10806726-B2 Methods of using indazole-3-carb oxamides and their use as Wnt/B-catenin signaling pathway inhibitors CTNNB1, GSK3B, WNT3 TAAR1 4506/4885ALDH1A1 3385/4885CYP2D6 2998/4885
US-20070269405-A1 Androgen Receptor Modulators AR, SHBG, FSHR TAAR1 3620/4885ALDH1A1 2119/4885CYP2D6 2985/4885
US-20180185343-A1 METHODS OF USING INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS WNT3, CTNNB1, WNT3A TAAR1 4337/4885ALDH1A1 3226/4885CYP2D6 2435/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 TAAR1 1857/4885ALDH1A1 1322/4885CYP2D6 64/4885
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD TAAR1 751/4885ALDH1A1 840/4885CYP2D6 1361/4885

“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.