SCHEMBL5224753

SCHEMBL5224753

COc1ccc(CC(O)CN2CCN(CC(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C19 P33261 3/20 0.56
MAPT P10636 2/20 0.56
CYP2C9 P11712 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 2/20 0.53
CYP2D6 P10635 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
REV1 Q9UBZ9 1/20 0.50
KCNA5 P22460 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL4858045 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTKMT2AGAA
SCHEMBL4500396 0.81 LMNA (0.55) ALDH1A1MEN1KMT2ACYP2D6SMN1; SMN2
SCHEMBL4496607 0.80 LMNA (0.60) ALDH1A1MEN1KMT2AGAACYP2D6
SCHEMBL6284296 0.80 CYP2D6 (0.64) ALDH1A1KDM4ECYP3A4MEN1KMT2A
SCHEMBL4510340 0.79 MEN1 (0.50) ALDH1A1MEN1KMT2ACYP2D6SMN1; SMN2
SCHEMBL4490875 0.79 ROCK2 (0.55) ALDH1A1KDM4EMEN1KMT2ACYP2D6
SCHEMBL4511466 0.78 MEN1 (0.54) ALDH1A1KDM4EMEN1KMT2ACYP2D6
SCHEMBL4862824 0.77 CYP2C19 (0.59) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL4503243 0.76 EPHX2 (0.57) KDM4ECYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4491381 0.76 LMNA (0.70) MEN1KMT2ACYP2D6SMN1; SMN2TSHR

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
EP-1339701-B1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-02-14 EP claimed
US-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. 2004-02-12 US claimed
EP-1339701-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-09-03 EP claimed
WO-2002064576-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2002-08-22 WO claimed
EP-1339701-B1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-02-14 EP disclosed
US-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. 2004-02-12 US disclosed
EP-1339701-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-09-03 EP disclosed
WO-2002064576-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2002-08-22 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-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CPT1B, CPT1A, ALOX15 ALDH1A1 69/4885KDM4E 4148/4885CYP1A2 453/4885

“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.