SCHEMBL6499178

SCHEMBL6499178

O=c1n(CCc2ccccc2)c2ccccc2n1C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.61
CACNA1H O95180 4/20 0.61
OPRM1 P35372 2/20 0.54
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
C5AR1 P21730 2/20 0.52
CCR8 P51685 4/20 0.51
OPRL1 P41146 1/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL6496325 0.90 KDM4E (0.58) CACNA1GCACNA1HOPRM1CYP3A4CYP2D6
SCHEMBL6496417 0.89 KDM4E (0.61) CACNA1GCACNA1HOPRM1CYP3A4CYP2D6
SCHEMBL6495959 0.89 CYP3A4 (0.53) CACNA1GCACNA1HOPRM1CYP3A4CYP2D6
SCHEMBL7066869 0.88 OPRM1 (0.51) CACNA1GCACNA1HOPRM1CYP3A4CYP2D6
SCHEMBL6501702 0.87 CYP3A4 (0.56) CACNA1GCACNA1HOPRM1CYP3A4CYP2D6
SCHEMBL6505921 0.87 C5AR1 (0.57) CACNA1GCACNA1HOPRM1CYP3A4CYP2D6
SCHEMBL6508675 0.87 CYP3A4 (0.52) CACNA1GCACNA1HOPRM1CYP3A4CYP2D6
SCHEMBL6507890 0.82 CYP3A4 (0.49) CACNA1GCACNA1HOPRM1CYP3A4CYP2D6
SCHEMBL7066463 0.82 CYP3A4 (0.62) OPRM1CYP3A4CYP2D6C5AR1CCR8
SCHEMBL7070692 0.80 OPRM1 (0.57) OPRM1CYP3A4CYP2D6C5AR1CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 CACNA1G 4005/4885CACNA1H 3661/4885OPRM1 494/4885

“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.