SCHEMBL4336939

SCHEMBL4336939

CCOC(=O)C1CC(=O)N(c2ccc(F)cc2)C1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
MAPT P10636 3/20 0.61
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
POLB P06746 2/20 0.58
RAB9A P51151 2/20 0.57
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL5569272 0.88 HPGD (0.65) HPGDMAPTALDH1A1GAAL3MBTL1
SCHEMBL5569267 0.88 HPGD (0.65) HPGDMAPTALDH1A1GAAL3MBTL1
SCHEMBL7432274 0.87 HPGD (0.63) HPGDMAPTALDH1A1GAAL3MBTL1
SCHEMBL12668076 0.86 HPGD (0.70) HPGDMAPTALDH1A1GAAL3MBTL1
SCHEMBL2215736 0.85 ALDH1A1 (0.68) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL1009309 0.85 TP53 (0.62) HPGDMAPTALDH1A1GAAL3MBTL1
SCHEMBL3366012 0.81 ALDH1A1 (0.63) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL3366008 0.81 ALDH1A1 (0.63) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL10636415 0.80 HTT (0.68) HPGDALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL21121417 0.79 ALDH1A1 (0.52) HPGDMAPTALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 US disclosed
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 US disclosed
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 US disclosed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 US disclosed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 US disclosed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 US disclosed
US-7262198-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
US-7262198-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
US-7262198-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
EP-1723129-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2006-11-22 EP disclosed
US-20060229317-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2006-10-12 US disclosed
US-7115610-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-03 US disclosed
US-20050197346-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2005-09-08 US disclosed
WO-2005061470-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-07-07 WO disclosed
WO-2005061470-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-07-07 WO 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 (4 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-20060229317-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A HPGD 220/4885MAPT 4852/4885ALDH1A1 167/4885
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A HPGD 220/4885MAPT 4852/4885ALDH1A1 167/4885
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A HPGD 220/4885MAPT 4852/4885ALDH1A1 167/4885
US-20050197346-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A HPGD 220/4885MAPT 4852/4885ALDH1A1 167/4885

“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.