SCHEMBL989433

SCHEMBL989433

[CH]1COCC(Cc2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GRM2 Q14416 1/20 0.38
TAAR1 Q96RJ0 2/20 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
SCHEMBL14912005 0.82 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL2186411 0.73 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL873444 0.73 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL51254 0.73 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL1957441 0.73 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL5152191 0.73 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL8485 0.72 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL16572184 0.71 GBA1 (0.52) TAAR1
Methane SCHEMBL28820455 0.71 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GRM2TAAR1
SCHEMBL183865 0.70 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3GRM2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968824-A 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2022-01-25 CN claimed
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors MERCK PATENT GMBH (DE) 2019-05-21 US claimed
EP-2970258-B1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2018-04-18 EP claimed
US-9657034-B2 Substituted furo[3,2-c]pyridines, thieno[3,2-c]pyridines, thieno[2,3-d]pyridazines and pyrido[3,4-d]pyridazines as phosphodiesterase type 10A inhibitors AbbVie Deuschland GmbH & Co. KG (DE) 2017-05-23 US claimed
EP-3151829-A1 NOVEL SESQUITERPENE DERIVATIVES AND THEIR USE IN INFLAMMATION AND CANCER TREATMENT Academia Sinica (TW) 2017-04-12 EP claimed
EP-2776418-B1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-01-04 EP claimed
US-9475808-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US claimed
US-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-05-19 US claimed
US-9273068-B2 Substituted isoquinolines and phthalazines as inhibitors of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-01 US claimed
EP-2970328-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP claimed
WO-2002083691-A1 NEW PROCESS FOR THE PREPARATION OF OXABISPIDINES ASTRAZENECA AB (SE) 2002-10-24 WO claimed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed
US-6121260-A Method of treating conditions susceptible to modulation of NPY receptors with diarylimidazole derivatives NEUROGEN CORPORATION (US) 2000-09-19 US claimed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO claimed
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP claimed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO claimed
US-5710158-A INHIBITORS OF PROTEIN TYROSINE KINASE AND EPIDERMAL GROWTH FACTOR RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-01-20 US claimed
US-5245039-A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA (IT) 1993-09-14 US 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 (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-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B SLC6A2 1970/4885SLC6A4 1479/4885SLC6A3 1046/4885
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors PSMB7, PSMA7, PSMB11 SLC6A2 4149/4885SLC6A4 4747/4885SLC6A3 4266/4885

“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.