SCHEMBL587339

SCHEMBL587339

O=C(O)C12CCC(CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
GRM2 Q14416 3/20 0.33
GRM3 Q14832 3/20 0.33
GRM4 Q14833 3/20 0.33
GRM1 Q13255 3/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 2/20 0.33
MTOR P42345 2/20 0.33
GRM8 O00222 2/20 0.33
GRM6 O15303 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM5 P41594 1/20 0.33
PLCB1 Q9NQ66 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL15514903 0.90 CYP1A2 (0.31) CYP1A2
SCHEMBL152754 0.83 ALDH1A1 (0.40) GRM2GRM3GRM4GRM1CYP2C19
Hydrochloric Acid SCHEMBL29812512 0.81 PKM (0.39) GRM2GRM3GRM4GRM1CYP2C19
Hydrochloric Acid SCHEMBL29812508 0.81 PKM (0.39) GRM2GRM3GRM4GRM1CYP2C19
Hydrochloric Acid SCHEMBL17536887 0.81 PKM (0.39) GRM2GRM3GRM4GRM1CYP2C19
SCHEMBL3854946 0.81 ALDH1A1 (0.39) GRM2GRM3GRM4GRM1CYP2C19
SCHEMBL20952430 0.78 ALDH1A1 (0.47) NPSR1ALDH1A1HTTPKML3MBTL1
SCHEMBL893183 0.77 FFAR3 (0.44) FFAR3GRM1CYP2C19
SCHEMBL15514232 0.77 ALDH1A1 (0.31) NPSR1ALDH1A1HTT
SCHEMBL11015180 0.76 ALDH1A1 (0.36) GRM2GRM3GRM4GRM1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326749-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS INC (US) 2025-10-23 US claimed
CN-115427409-B Pyrimidine-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2025-02-25 CN claimed
CN-114901653-B Novel amide derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2024-11-22 CN claimed
EP-4423082-A1 CCR6 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-09-04 EP claimed
CN-112752756-B Tetrahydro-imidazo [4,5-c ] pyridine derivatives as PD-L1 immunomodulators 因赛特公司 2024-06-25 CN claimed
CN-113801120-B Microsuspension of MDM2 inhibitors and therapeutic uses 苏州亚盛药业有限公司 2024-03-22 CN claimed
CN-112105610-B Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2024-01-26 CN claimed
EP-3694900-B1 NON-AQUEOUS CROSSLINKABLE COMPOSITION ALLNEX NETHERLANDS BV (NL) 2024-01-24 EP claimed
WO-2023072924-A1 CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 WO claimed
US-11572431-B2 Non-aqueous crosslinkable composition ALLNEX NETHERLANDS B.V. (NL) 2023-02-07 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
EP-2877180-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-03 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
WO-2014018891-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-01-30 WO claimed
EP-1887069-B1 Bicyclooctyl reactive mesogens MERCK PATENT GMBH (DE) 2010-11-10 EP claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0672032-B1 NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES ASTRA AB (SE) 1998-01-07 EP claimed
EP-0672032-A1 NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES Astra Aktiebolag (SE) 1995-09-20 EP claimed
WO-1995009835-A1 NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES ASTRA AKTIEBOLAG (SE) 1995-04-13 WO claimed

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-20250326749-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, SLC26A4, PKD2 FFAR3 1734/4885GRM2 4739/4885GRM3 4546/4885

“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.