SCHEMBL3038019

SCHEMBL3038019

O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 20/20 1.00
S1PR1 P21453 16/20 1.00
HTR2A P28223 1/20 1.00
KCNH2 Q12809 1/20 1.00
SIGMAR1 Q99720 1/20 1.00
PDGFRA P16234 2/20 0.76
ROCK1 Q13464 1/20 0.76
LTK P29376 1/20 0.69
TAOK1 Q7L7X3 1/20 0.69
PRKX P51817 1/20 0.63
ACVR1 Q04771 1/20 0.63
S1PR3 Q99500 2/20 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
SCHEMBL3031325 0.87 S1PR5 (1.00) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3041779 0.87 S1PR5 (1.00) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3044025 0.86 S1PR5 (0.82) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3042052 0.85 S1PR5 (1.00) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL31395212 0.85 S1PR5 (0.75) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL31395154 0.85 S1PR5 (0.73) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3036847 0.85 S1PR5 (0.73) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3034496 0.84 S1PR5 (1.00) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3037819 0.84 S1PR5 (1.00) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3033996 0.82 S1PR5 (0.78) S1PR5S1PR1HTR2AKCNH2SIGMAR1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP claimed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US claimed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO claimed
EP-3980085-B1 COMPOSITIONS AND METHODS OF USING SAME FOR TISSUE REGENERATION UNIV RAMOT (IL) 2026-03-11 EP disclosed
EP-4426296-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS Actelion Pharmaceuticals Ltd (CH) 2024-09-11 EP disclosed
US-20240261267-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS VANDA PHARMACEUTICALS INC. 2024-08-08 US disclosed
WO-2023150572-A1 METHODS FOR REDUCING ALCOHOL, DRUG, AND FOOD INTAKE THE SCRIPPS RESEARCH INSTITUTE (US) 2023-08-10 WO disclosed
WO-2023079079-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS ACTELION PHARMACEUTICALS LTD (CH) 2023-05-11 WO disclosed
US-20220233578-A1 COMPOSITIONS AND METHODS OF USING SAME FOR TISSUE REGENERATION RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2022-07-28 US disclosed
EP-3980085-A1 COMPOSITIONS AND METHODS OF USING SAME FOR TISSUE REGENERATION Ramot at Tel-Aviv University Ltd. (IL) 2022-04-13 EP disclosed
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 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 (2 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-20240261267-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS PMP22, S1PR2, S1PR4 S1PR5 6/4885S1PR1 4/4885HTR2A 1946/4885
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 S1PR5 1/4885S1PR1 3/4885HTR2A 69/4885

“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.