SCHEMBL4324960

SCHEMBL4324960

CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.58
EPHX2 P34913 3/20 0.57
ACKR3 P25106 1/20 0.57
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
MAPK14 Q16539 2/20 0.52
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL5752686 0.90 HTR1A (0.60) CD274EPHX2ACKR3MAPK14HDAC2
SCHEMBL8404688 0.86 ACKR3 (0.57) CD274ACKR3MAPTSMN1; SMN2HTT
SCHEMBL8404689 0.85 ACKR3 (0.56) CD274ACKR3MAPTSMN1; SMN2HTT
SCHEMBL15947385 0.84 SMN1; SMN2 (0.59) CD274ACKR3MAPTSMN1; SMN2HTT
SCHEMBL31037305 0.84 DRD2 (0.58) CD274ACKR3MAPTSMN1; SMN2HTT
SCHEMBL4327822 0.83 CD274 (0.66) CD274EPHX2MAPTSMN1; SMN2HTT
SCHEMBL20458266 0.82 SMN1; SMN2 (0.56) CD274ACKR3MAPTSMN1; SMN2HTT
SCHEMBL31330228 0.80 ACKR3 (0.62) ACKR3MAPTSMN1; SMN2HTTLMNA
SCHEMBL29716350 0.79 LTA4H (0.56) EPHX2MAPTKDM4EDRD2
SCHEMBL15566425 0.79 MEN1 (0.65) EPHX2MAPTSMN1; SMN2HTTALDH1A1

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 17 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

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 CD274 4712/4885EPHX2 3282/4885ACKR3 758/4885
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A CD274 4712/4885EPHX2 3282/4885ACKR3 758/4885
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A CD274 4712/4885EPHX2 3282/4885ACKR3 758/4885
US-20050197346-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A CD274 4712/4885EPHX2 3282/4885ACKR3 758/4885

“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.