SCHEMBL2521564

SCHEMBL2521564

O=C1NCC2CCCCN12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 4/20 0.44
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
HTR6 P50406 1/20 0.36
BRCA1 P38398 1/20 0.36
ATM Q13315 1/20 0.36
PKM P14618 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
CDA P32320 1/20 0.33

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
SCHEMBL24603324 1.00 MEN1 (0.44) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL14560244 0.93 GAA (0.50) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL460241 0.93
SCHEMBL2878135 0.93
SCHEMBL14571049 0.93 GAA (0.50) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL14290050 0.93 GAA (0.50) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL27163373 0.82 GAA (0.41) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL5951577 0.81 CDA (0.38) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL6082054 0.79 CDA (0.46) GAAALDH1A1MAPTKDM4EPKM
SCHEMBL25307809 0.79 CDA (0.46) GAAALDH1A1MAPTKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368189-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMA (US) 2024-11-07 US disclosed
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-09 US disclosed
US-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE HERCULES CAPITAL, INC., AS AGENT 2023-08-24 US disclosed
WO-2023141432-A2 APOL1 INHIBITORS AND METHODS OF USE MAZE THERAPEUTICS, INC. (US) 2023-07-27 WO disclosed
EP-4198037-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-06-21 EP disclosed
EP-4198037-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-06-21 EP disclosed
EP-3752510-B1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMA (US) 2022-12-07 EP disclosed
EP-3752510-B1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMA (US) 2022-12-07 EP disclosed
WO-2022171072-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海维申医药有限公司 2022-08-18 WO disclosed
US-20220106331-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED 2022-04-07 US disclosed
US-20130274464-A1 Arylethynyl Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-8513273-B2 Arylethynyl derivatives HOFFMANN-LAROCHE INC. (US) 2013-08-20 US disclosed
US-20130178456-A1 ARYLETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8420661-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
WO-2013045854-A1 FLUOROGENIC PEPTIDASE SUBSTRATE ECOLE NORMALE SUPERIEURE DE LYON (FR) 2013-04-04 WO disclosed
EP-2558457-A1 ARYLETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
WO-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 WO disclosed
WO-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 WO disclosed
WO-2011128279-A1 ARYLETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110251169-A1 Arylethynyl derivatives HOFFMANN-LA ROCHE, INC. 2011-10-13 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 (7 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-20130178456-A1 ARYLETHYNYL DERIVATIVES GRM5, GRM1, GRM3 MEN1 3886/4885KMT2A 2267/4885GAA 4185/4885
US-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE APOL1, APOB, LDLR MEN1 457/4885KMT2A 4715/4885GAA 997/4885
US-20240368189-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 MEN1 3530/4885KMT2A 4515/4885GAA 1183/4885
US-20220106331-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 MEN1 3530/4885KMT2A 4515/4885GAA 1183/4885
US-20130274464-A1 Arylethynyl Derivatives GRM5, GRM1, GRM3 MEN1 3886/4885KMT2A 2267/4885GAA 4185/4885
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators CFTR, SLC26A4, ABCB11 MEN1 3530/4885KMT2A 4515/4885GAA 1183/4885
US-20110251169-A1 Arylethynyl derivatives GRM5, GRM1, GRM3 MEN1 3886/4885KMT2A 2267/4885GAA 4185/4885

“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.