SCHEMBL6530769

SCHEMBL6530769

COc1ccc(-c2cc(C3CCN(Cc4cccc(Oc5ccccc5)c4)CC3)n[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ XBP1 P17861 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ DRD2 P14416 3/20 0.53
▸ DRD4 P21917 2/20 0.53
▸ DRD3 P35462 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ SIGMAR1 Q99720 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ FAAH O00519 1/20 0.51
▸ TRPV6 Q9H1D0 1/20 0.47
▸ CCR8 P51685 4/20 0.47
▸ HPGD P15428 1/20 0.46

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
SCHEMBL1388813 0.87 DRD2 (0.55) HTTLMNAPOLBXBP1BLM
SCHEMBL1388576 0.82 DRD2 (0.56) HTTLMNAPOLBXBP1BLM
SCHEMBL1388769 0.82 DRD2 (0.56) HTTLMNAPOLBXBP1BLM
SCHEMBL6528278 0.81 DRD2 (0.50) HTTLMNASMN1; SMN2DRD2DRD4
SCHEMBL1388551 0.80 DRD4 (0.70) POLBDRD2DRD4DRD3SIGMAR1
SCHEMBL9202145 0.80 SIGMAR1 (0.55) HTTLMNAPOLBXBP1BLM
SCHEMBL1388458 0.78 DRD2 (0.68) DRD2DRD4DRD3SIGMAR1
SCHEMBL1388678 0.76 DRD2 (0.70) HTTDRD2DRD4DRD3KDM4E
SCHEMBL12945833 0.76 NPC1 (0.55) HTTLMNASMN1; SMN2DRD4
SCHEMBL1388612 0.75 DRD2 (0.58) LMNASMN1; SMN2DRD2DRD4DRD3

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 HTT 3786/4885LMNA 4603/4885POLB 3458/4885

“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.

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