SCHEMBL844847

SCHEMBL844847

CCc1cnccc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 3/20 0.43
CYP2C8 P10632 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2A6 P11509 3/20 0.43
CYP2B6 P20813 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AOC1 P19801 5/20 0.38
AOC3 Q16853 5/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
HASPIN Q8TF76 1/20 0.37
KDM5A P29375 1/20 0.37

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
SCHEMBL5106244 0.91 CYP2E1 (0.43) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL29900474 0.86 AOC1 (0.43) CYP2A6CYP11B1CYP11B2LMNAAOC1
SCHEMBL6249306 0.86 AOC1 (0.43) CYP2A6CYP11B1CYP11B2LMNAAOC1
SCHEMBL877689 0.86 CYP2E1 (0.48) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL31303524 0.84 AOC1 (0.45) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL11564155 0.84 CYP2E1 (0.47) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL21618217 0.84 AOC1 (0.45) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL5109069 0.83 CYP2E1 (0.46) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL5110078 0.79 CYP2E1 (0.46) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL23674578 0.78 CYP2E1 (0.43) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129046-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-04-24 US disclosed
CN-112638881-B Tetrahydroquinoline derivatives for the treatment of metastatic and chemotherapy-resistant cancers 普林斯顿大学托管委员会 2025-01-07 CN disclosed
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-12-10 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-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed
WO-2021151062-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERISTY (US) 2021-07-29 WO disclosed
EP-3830079-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS The Trustees of Princeton University (US) 2021-06-09 EP disclosed
US-20210155602-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-05-27 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP disclosed
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 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
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed
EP-0424538-A1 PYRIDINE DERIVATIVES AND THEIR SALTS, AND INSECTICIDAL/ACARICIDAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-05-02 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP 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 (8 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP CYP2E1 183/4885CYP2C8 301/4885CYP2D6 38/4885
US-20210155602-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS ALDH3A1, ALDH1A3, ALDH2 CYP2E1 970/4885CYP2C8 2073/4885CYP2D6 1007/4885
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 CYP2E1 15/4885CYP2C8 251/4885CYP2D6 68/4885
US-20250129046-A1 TETRAHYDROQUINOLINO DERIVATIVES FOR THE TREATMENT OF METASTATIC AND CHEMORESISTANT CANCERS ALDH3A1, ALDH1A1, ALDH2 CYP2E1 210/4885CYP2C8 676/4885CYP2D6 294/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 CYP2E1 758/4885CYP2C8 1576/4885CYP2D6 1153/4885
US-12162855-B2 Tetrahydroquinolino derivatives for the treatment of metastatic and chemoresistant cancers ALDH3A1, ALDH2, ALDH1A1 CYP2E1 317/4885CYP2C8 1227/4885CYP2D6 428/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 CYP2E1 214/4885CYP2C8 856/4885CYP2D6 911/4885
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 CYP2E1 1937/4885CYP2C8 2494/4885CYP2D6 2699/4885

“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.