SCHEMBL6496988

SCHEMBL6496988

COc1ccccc1CN1CCC(CN2CCC(N)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.58
CHRM2 P08172 3/20 0.57
CHRM4 P08173 3/20 0.57
CHRM5 P08912 3/20 0.57
CHRM1 P11229 3/20 0.57
CHRM3 P20309 3/20 0.57
GNAI3 P08754 1/20 0.57
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47

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
SCHEMBL8110360 0.92 CHRM3 (0.66) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL6941984 0.92 CHRM3 (0.66) CXCR4CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL11539098 0.90 CHRM3 (0.64) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL17967828 0.83 CHRM2 (0.59) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL31618492 0.81 CXCR4 (0.67) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL12013923 0.79 CHRM2 (0.68) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL27142753 0.78 KDM4E (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL27140915 0.77 KDM4E (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4187783 0.76 MEN1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8821609 0.76 LMNA (0.62) CXCR4CHRM2CHRM4CHRM5CHRM1

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 1 patent. 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

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 CXCR4 7/4885CHRM2 1996/4885CHRM4 1700/4885

“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.