SCHEMBL4864526

SCHEMBL4864526

O=C(CN1CCN(C[C@@H](O)COc2ccc3oc(-c4ccccc4)nc3c2)CC1)Nc1cccc2c1OCCO2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6280762 0.87 CYP3A4 (0.54) CYP3A4CYP1A2CYP2C9KDM4EMEN1
SCHEMBL6284849 0.85 CYP3A4 (0.52) CYP3A4CYP1A2CYP2C9KDM4EMEN1
SCHEMBL4867368 0.85 CYP3A4 (0.51) CYP3A4CYP1A2CYP2C9KDM4EMEN1
SCHEMBL4865258 0.85 CYP3A4 (0.51) CYP3A4CYP1A2CYP2C9
SCHEMBL4864478 0.85 CYP3A4 (0.51) CYP3A4CYP1A2CYP2C9KDM4EMEN1
SCHEMBL6281757 0.84 CYP3A4 (0.69) CYP3A4CYP1A2CYP2C9KDM4EMEN1
SCHEMBL6284357 0.84 CYP3A4 (0.69) CYP3A4CYP1A2CYP2C9KDM4EMEN1
SCHEMBL6286044 0.84 CYP3A4 (0.69) CYP3A4CYP1A2CYP2C9KDM4EMEN1
SCHEMBL4864822 0.84 CYP3A4 (0.50) CYP3A4CYP1A2CYP2C9KDM4EMEN1
SCHEMBL4861690 0.84 CYP3A4 (0.50) CYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US 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 CYP3A4 655/4885CYP1A2 882/4885CYP2C9 467/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A CYP3A4 598/4885CYP1A2 782/4885CYP2C9 414/4885

“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.