SCHEMBL3700588

SCHEMBL3700588

CCCCCNCCC(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
ALDH1A1 P00352 1/20 0.65
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
EPHX1 P07099 3/20 0.41
ADH1B P00325 3/20 0.41
ADH1C P00326 3/20 0.41
ADH1A P07327 3/20 0.41
ADH7 P40394 3/20 0.41
ADH4 P08319 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
OPRM1 P35372 1/20 0.39
CNR1 P21554 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
Dipentylamine SCHEMBL7050005 1.00 TSHR (0.65) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL4672978 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL21018561 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL18823950 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL5866926 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL23945222 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL11175228 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL6237106 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL18681539 0.95 TSHR (0.59) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL7776889 0.92 TSHR (0.52) TSHRALDH1A1S1PR2S1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073624-A2 ANTIPROLIFERATIVE BETTI BASES AND PRODRUGS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-04-04 WO disclosed
WO-2023126377-A1 METHOD FOR PREPARING IONIC COMPOUNDS FUNDACIÓN CENTRO DE INVESTIGACIÓN COOPERATIVA DE ENERGÍAS ALTERNATIVAS CIC ENERGIGUNE FUNDAZIOA (ES) 2023-07-06 WO disclosed
WO-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 WO disclosed
US-20180014924-A1 INTRA-ORAL LIGHT-THERAPY APPARATUSES AND METHODS FOR THEIR USE BIOLUX RESEARCH LTD. (CA) 2018-01-18 US disclosed
EP-3258485-A1 SOLUTION AND METHOD FOR REMOVAL OF GROUP III-V ELEMENT OXIDE, SOLUTION FOR TREATMENT OF GROUP III-V ELEMENT COMPOUND, SOLUTION FOR PREVENTING OXIDATION OF GROUP III-V ELEMENT, SOLUTION FOR TREATMENT OF SEMICONDUCTOR SUBSTRATE, AND METHOD FOR PRODUCTION OF SEMICONDUCTOR SUBSTRATE PRODUCT Fujifilm Corporation (JP) 2017-12-20 EP disclosed
EP-2281818-A1 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-02-09 EP disclosed
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 US disclosed
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2008-10-16 US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
CN-1305852-C Diaryl ethers as opioid receptor antagonists LILLY CO ELI (US) 2007-03-21 CN disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 US disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 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 (4 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-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 TSHR 344/4885ALDH1A1 2083/4885S1PR2 669/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 TSHR 340/4885ALDH1A1 2104/4885S1PR2 700/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 TSHR 323/4885ALDH1A1 2133/4885S1PR2 652/4885
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 TSHR 3563/4885ALDH1A1 1707/4885S1PR2 875/4885

“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.