SCHEMBL250506

SCHEMBL250506

O=C(O)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 9/20 0.77
S1PR1 P21453 2/20 0.67
S1PR4 O95977 1/20 0.64
S1PR3 Q99500 1/20 0.64
LTA4H P09960 3/20 0.62
MEN1 O00255 1/20 0.61
TSHR P16473 1/20 0.61
KMT2A Q03164 1/20 0.61
SCN4A P35499 2/20 0.61
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58

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
SCHEMBL9037650 1.00 S1PR5 (0.77) S1PR5S1PR1S1PR4S1PR3LTA4H
SCHEMBL16301219 1.00 S1PR5 (0.77) S1PR5S1PR1S1PR4S1PR3LTA4H
Hydrochloric Acid SCHEMBL892740 0.98 S1PR5 (0.75) S1PR5S1PR1S1PR4S1PR3LTA4H
Hydrochloric Acid SCHEMBL893221 0.98 S1PR5 (0.75) S1PR5S1PR1S1PR4S1PR3LTA4H
Hydrochloric Acid SCHEMBL892739 0.98 S1PR5 (0.75) S1PR5S1PR1S1PR4S1PR3LTA4H
Trifluoroacetic Acid SCHEMBL9038823 0.91 S1PR5 (0.67) S1PR5S1PR1S1PR4S1PR3LTA4H
SCHEMBL18125935 0.90 ALDH1A1 (0.71) S1PR5S1PR1LTA4HMEN1KMT2A
SCHEMBL3844177 0.90 ALDH1A1 (0.71) S1PR5S1PR1LTA4HMEN1KMT2A
SCHEMBL27441592 0.90 S1PR5 (0.64) S1PR5S1PR1MEN1TSHRKMT2A
SCHEMBL1519223 0.90 MEN1 (0.69) S1PR5S1PR1LTA4HMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 CN claimed
CN-101492421-A Method for preparing trifluoro acetyl substituted ring amine and its derivative SHANGHAI AQBIOPHARMA CO LTD (CN) 2009-07-29 CN claimed
CN-113801163-B Organic arsenic-based II-type pyruvate kinase inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2025-03-04 CN disclosed
CN-115772081-B Preparation method of 4-ethoxy-2-methyl alkenyl butyraldehyde 万华化学集团营养科技有限公司 2024-11-12 CN disclosed
US-20240208955-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RESEARCH TRIANGLE INSTITUTE 2024-06-27 US disclosed
EP-4304630-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM Research Triangle Institute (US) 2024-01-17 EP disclosed
CN-116963761-A Small molecule antagonists against relaxin-3/RXFP 3 system 研究三角协会 2023-10-27 CN disclosed
CN-111808007-B Preparation method of chiral 3-substituted pyrrolidine derivative 青岛贞开生物医药技术有限公司 2023-04-21 CN disclosed
CN-115772081-A Preparation method of 4-ethoxy-2-methylal 万华化学集团股份有限公司 2023-03-10 CN disclosed
WO-2022192126-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RESEARCH TRIANGLE INSTITUTE (US) 2022-09-15 WO disclosed
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed
US-4971958-A CALCIUM METABOLISM BOEHRINGER MANNHEIM GMBH (DE) 1990-11-20 US disclosed
EP-0273190-A1 Diphosphoric acid derivatives, process for their preparation and pharmaceuticals containing them Roche Diagnostics GmbH (DE) 1988-07-06 EP disclosed
EP-0174077-A1 -9-fluoro-6,7-dihydro-5-methyl-1-oxo-8-substituted-1H,5H, benzo(ij)-quinoziline-2-carboxylic acids; their derivatives; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-03-12 EP disclosed
US-3976660-A Pyrrolidine derivatives E. R. SQUIBB & SONS, INC. (US) 1976-08-24 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 (1 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-20240208955-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RXFP3, RXFP1, RXFP4 S1PR5 386/4885S1PR1 457/4885S1PR4 423/4885

“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.