SCHEMBL79281

SCHEMBL79281

Cc1cccc(C#CCO)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FFAR1 O14842 4/20 0.47
FFAR4 Q5NUL3 1/20 0.43
ACHE P22303 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MELK Q14680 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
EGFR P00533 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL5633251 0.85 ALDH1A1 (0.47) GRM5SMN1; SMN2FFAR1ALDH1A1MELK
SCHEMBL30574457 0.85 MEN1 (0.48) GRM5HTTSMN1; SMN2FFAR1FFAR4
SCHEMBL8993127 0.82 GRM5 (0.52) GRM5HTTSMN1; SMN2FFAR1FFAR4
SCHEMBL30469481 0.80 GRM5 (0.69) GRM5HTTSMN1; SMN2FFAR1FFAR4
SCHEMBL30469478 0.80 GRM5 (0.69) GRM5HTTSMN1; SMN2FFAR1FFAR4
SCHEMBL4562089 0.80 GRM5 (0.69) GRM5HTTSMN1; SMN2FFAR1FFAR4
SCHEMBL5174894 0.80 CYP2C19 (0.57) GRM5HTTSMN1; SMN2FFAR1FFAR4
SCHEMBL5536022 0.80 GRM5 (0.50) GRM5HTTSMN1; SMN2FFAR1FFAR4
SCHEMBL28469408 0.80 GRM5 (0.50) GRM5HTTSMN1; SMN2FFAR1FFAR4
SCHEMBL81832 0.79 FFAR1 (0.41) GRM5HTTSMN1; SMN2FFAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 CN claimed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 CN claimed
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 CN disclosed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 CN disclosed
CN-111662147-B Process for preparing diynes and analogues thereof 清华大学 2021-08-10 CN disclosed
CN-111662147-A Process for preparing diynes and analogues thereof 清华大学 2020-09-15 CN disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2968282-A1 HISTONE DEMENTHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 EP disclosed
WO-2014164708-A1 HISTONE DEMENTHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-10-09 WO disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
US-20110172455-A1 PROCESS FOR PREPARING CINACALCET AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-14 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 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 (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-20110172455-A1 PROCESS FOR PREPARING CINACALCET AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CA9, SI, REN GRM5 2561/4885HTT 4361/4885SMN1; SMN2 3874/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C GRM5 1319/4885HTT 3158/4885SMN1; SMN2 3560/4885

“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.