SCHEMBL5228917

SCHEMBL5228917

N#Cc1cccc(CC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.47
GLA P06280 1/20 0.46
NR3C1 P04150 1/20 0.44
NR3C2 P08235 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TRPA1 O75762 1/20 0.43
MEP1A Q16819 1/20 0.42
MEP1B Q16820 1/20 0.42
ATM Q13315 1/20 0.41
ENPP2 Q13822 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL17388419 0.95 L3MBTL1 (0.45) L3MBTL1MRGPRX4GLANR3C1NR3C2
SCHEMBL27667253 0.81 L3MBTL1 (0.46) L3MBTL1MRGPRX4GLACYP19A1CYP11B1
SCHEMBL6964908 0.81 GLA (0.50) L3MBTL1MRGPRX4GLANR3C1NR3C2
SCHEMBL17103408 0.81 L3MBTL1 (0.35) L3MBTL1MRGPRX4GLANR3C1NR3C2
SCHEMBL6109806 0.78 SLC6A2 (0.52) L3MBTL1MRGPRX4GLANR3C1NR3C2
SCHEMBL4599725 0.78 GLA (0.50) L3MBTL1MRGPRX4GLACYP19A1CYP11B1
SCHEMBL30426333 0.78 GLA (0.50) L3MBTL1MRGPRX4GLACYP19A1CYP11B1
SCHEMBL2154019 0.77 GLA (0.53) MRGPRX4GLACYP19A1CYP11B1CYP11B2
SCHEMBL2153847 0.77 HRH3 (0.59) MRGPRX4GLACYP19A1CYP11B1CYP11B2
SCHEMBL5697547 0.77 DAO (0.46) L3MBTL1MRGPRX4GLACYP19A1CYP11B1

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 disclosed
US-6849632-B2 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. (US) 2005-02-01 US disclosed
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ZABLOCKI JEFF (US) 2004-09-30 US disclosed
US-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. 2004-02-12 US disclosed
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. 2003-11-20 US disclosed
EP-1339701-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-09-03 EP disclosed
US-6573264-B1 Protecting skeletal muscles against damage, treating shock conditions, preserving donor tissue and organs used in transplants, treating cardiovascular diseases CV THERAPEUTICS, INC. 2003-06-03 US 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 (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-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CPT1B, CPT1A, ALOX15 L3MBTL1 1322/4885MRGPRX4 4353/4885GLA 3020/4885
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 L3MBTL1 1574/4885MRGPRX4 3941/4885GLA 1859/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 L3MBTL1 1574/4885MRGPRX4 3941/4885GLA 1859/4885

“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.