SCHEMBL6576846

SCHEMBL6576846

CCOC(=O)CC(c1ccc(F)cc1)C(C#N)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 7/20 0.43
LMNA P02545 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 3/20 0.42
ALPG P10696 2/20 0.41
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 3/20 0.39
HPGD P15428 3/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CASP3 P42574 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL8423984 0.90 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1ALDH1A1LMNATDP1
SCHEMBL7247968 0.86 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL19972267 0.86 ALOX15 (0.45) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL4428619 0.83 ALDH1A1 (0.48) SMN1; SMN2L3MBTL1ALDH1A1LMNATDP1
SCHEMBL7967955 0.83 MAPT (0.56) SMN1; SMN2L3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL10363351 0.82 GAA (0.45) SMN1; SMN2L3MBTL1ALDH1A1LMNATDP1
SCHEMBL11440358 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNATDP1KMT2A
SCHEMBL11813946 0.81 KMT2A (0.54) SMN1; SMN2ALDH1A1LMNATDP1KMT2A
SCHEMBL22262828 0.81 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1ALDH1A1LMNATDP1
SCHEMBL10977335 0.78 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1ALDH1A1LMNATDP1

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
WO-2001002346-A1 CRYSTALLINE SINGLE DIASTEREOMERS OF 2-CYANO-3-ARYLGLUTARATE ESTERS SMITHKLINE BEECHAM PLC (GB) 2001-01-11 WO claimed
EP-0986389-B1 NOVEL PROCESS SMITHKLINE BEECHAM CORP (US) 2004-10-13 EP disclosed
US-20040147754-A1 Novel process SMITHKLINE BEECHAM PLC 2004-07-29 US disclosed
US-6716985-B2 ALCOHOLISM, PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-06 US disclosed
US-6590102-B1 Hydrogenation of 2-cyano-3-(p-fluorophenyl)glutaric acid diethyl ester in the presence of catalysts to prepare isomer mixtures of ethyl 4-(p-fluorophenyl)-6-oxo-3-piperidine -carboxylate, used as intermediates of paroxetine ASAHI GLASS COMPANY LTD. (JP) 2003-07-08 US disclosed
US-6489347-B1 NOVEL INTERMEDIATE CARBOXALDEHYDES FOR PHARMACEUTICAL PRODUCTS WITH ANTIDEPRESSANT AND ANTI-PARKINSON PROPERTIES SMITHKLINE BEECHAM PLC (GB) 2002-12-03 US disclosed
US-6476228-B1 Process for producing piperidinecarbinols ASAHI GLASS COMPANY LTD. (JP) 2002-11-05 US disclosed
WO-2002076940-A2 PROCESS FOR PREPARING ARYLPIPERIDINE CARBINOL INTERMEDIATES AND DERIVATIVES PENTECH PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-20020133011-A1 Novel process SMITHKLINE BEECHAM PLC 2002-09-19 US disclosed
US-20010053862-A1 Process for preparing arylpiperidine carbinol intermediates and derivatives PENTECH PHARMACEUTICALS, INC. 2001-12-20 US disclosed
EP-0802185-B1 Process for producing piperidinecarbinols ASAHI GLASS CO LTD (JP) 2001-10-17 EP disclosed
EP-0986389-A4 NOVEL PROCESS SMITHKLINE BEECHAM CORP (US) 2001-09-12 EP disclosed
US-6197960-B1 REDUCTION OF CYANOGLUTARIC ACID; CYCLIZATION, ISOMERIZATION ASAHI GLASS COMPANY LTD. (JP) 2001-03-06 US disclosed
EP-0986389-A1 NOVEL PROCESS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-22 EP disclosed
WO-1998053824-A1 NOVEL PROCESS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-03 WO disclosed
EP-0802185-A1 Process for producing piperidinecarbinols ASAHI GLASS COMPANY LTD. (JP) 1997-10-22 EP 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 (3 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-20010053862-A1 Process for preparing arylpiperidine carbinol intermediates and derivatives ADH1C, CBR1, MAL2 SMN1; SMN2 4562/4885L3MBTL1 3761/4885ALDH1A1 76/4885
US-20020133011-A1 Novel process HTR1A, HTR4, MAOA SMN1; SMN2 3833/4885L3MBTL1 1130/4885ALDH1A1 900/4885
US-20040147754-A1 Novel process HTR1A, HTR4, HTR2B SMN1; SMN2 3926/4885L3MBTL1 1471/4885ALDH1A1 1013/4885

“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.