SCHEMBL4033108

SCHEMBL4033108

O=C(CCl)NCc1cc(F)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.47
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
MAPK8 P45983 1/20 0.44
P2RX7 Q99572 4/20 0.42
SIGMAR1 Q99720 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
RAB9A P51151 1/20 0.42
HSD11B1 P28845 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL4032263 0.87 P2RX7 (0.53) LMNAMAPTERCC1ERCC4MAPK8
SCHEMBL5597754 0.81 CA1 (0.55) LMNAALDH1A1P2RX7RAB9ACA1
SCHEMBL3562274 0.81 ALDH1A1 (0.48) CNR1LMNAALDH1A1MAPTMAPK8
SCHEMBL14393385 0.81 LMNA (0.52) CNR1LMNAALDH1A1MAPT
SCHEMBL2265012 0.80 MCL1 (0.50) CNR1LMNAALDH1A1MAPTERCC1
SCHEMBL12366170 0.80 CNR1 (0.46) CNR1LMNAALDH1A1MAPTERCC1
SCHEMBL8251848 0.80 HPGD (0.63) CNR1LMNAALDH1A1MAPTMAPK8
SCHEMBL4329523 0.79 CNR1 (0.45) CNR1LMNAALDH1A1MAPTRAB9A
SCHEMBL4038051 0.79 HPGD (0.57) LMNAALDH1A1MAPTRAB9A
SCHEMBL5810435 0.79 CNR1 (0.45) CNR1LMNAALDH1A1MAPTERCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806346-B1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS INC (US) 2009-07-22 EP disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US 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 (2 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A CNR1 625/4885LMNA 2835/4885ALDH1A1 245/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A CNR1 769/4885LMNA 2300/4885ALDH1A1 281/4885

“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.