SCHEMBL6770955

SCHEMBL6770955

C[C@H]1CN(CC(=O)Nc2ccccc2Cl)CCN1C[C@H](O)COc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
GAA P10253 2/20 0.48
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 4/20 0.47
USP2 O75604 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.45
HTT P42858 1/20 0.44
CYP1A2 P05177 2/20 0.44
KCNA5 P22460 2/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL6768594 0.92 MEN1 (0.54) MEN1KMT2ACYP3A4CYP2D6ALDH1A1
SCHEMBL6765995 0.91 MEN1 (0.62) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL6769206 0.91 KMT2A (0.52) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL6765928 0.91 KMT2A (0.55) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL6768955 0.90 MEN1 (0.51) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL4863973 0.90 MEN1 (0.51) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL6769248 0.89 MEN1 (0.51) MEN1KMT2ACYP3A4CYP2D6ALDH1A1
SCHEMBL6765474 0.89 KMT2A (0.53) MEN1KMT2ACYP3A4CYP2D6ALDH1A1
SCHEMBL4865691 0.88 MEN1 (0.52) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL6770397 0.88 MEN1 (0.52) MEN1KMT2ACYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677336-B2 PARTIAL FATTY ACID OXIDATION INHIBITORS; PROTECT SKELETAL MUSCLES AGAINST DAMAGE RESULTING FROM TRAUMA OR SYSTEMIC DISEASES, TREAT SHOCK CONDITIONS, PRESERVE DONOR TISSUE AND ORGANS USED IN TRANSPLANTS CV THERAPEUTICS, INC. 2004-01-13 US claimed
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 EP claimed
US-20020016463-A1 Substituted piperazine compounds CV THERAPEUTICS, INC. 2002-02-07 US claimed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO claimed
US-6677336-B2 PARTIAL FATTY ACID OXIDATION INHIBITORS; PROTECT SKELETAL MUSCLES AGAINST DAMAGE RESULTING FROM TRAUMA OR SYSTEMIC DISEASES, TREAT SHOCK CONDITIONS, PRESERVE DONOR TISSUE AND ORGANS USED IN TRANSPLANTS CV THERAPEUTICS, INC. 2004-01-13 US disclosed
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 EP disclosed
US-20020016463-A1 Substituted piperazine compounds CV THERAPEUTICS, INC. 2002-02-07 US disclosed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 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 (1 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-20020016463-A1 Substituted piperazine compounds ATP2A1, CPT1B, TNNC1 MEN1 4696/4885KMT2A 4291/4885CYP3A4 3071/4885

“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.