SCHEMBL3978124

SCHEMBL3978124

Cc1cccc(CN(Cc2cccc(C)n2)CC(O)CN(Cc2cccc(C)n2)Cc2cccc(C)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
FDPS P14324 1/20 0.35
FDFT1 P37268 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
P2RX7 Q99572 1/20 0.34
PRMT5 O14744 1/20 0.34

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
SCHEMBL20882985 0.90 MAPT (0.49) CXCR4KMT2ASMN1; SMN2NPSR1KDM4E
SCHEMBL5024861 0.83 CCR1 (0.46) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14218357 0.80 MEN1 (0.37) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL12660023 0.78 CCR1 (0.41) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL7658744 0.75 KCNA5 (0.36) MEN1KMT2ASMN1; SMN2NPSR1GRIN2D
SCHEMBL6984577 0.74 IRAK4 (0.47) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL7027271 0.74 CCR1 (0.44) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL13936657 0.73 CXCR4 (0.52) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL6917370 0.72 CXCR4 (0.47) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL5027216 0.72 TDP1 (0.59) CXCR4KMT2ASMN1; SMN2NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547784-B2 Methods for preparing and using a zinc complex Koike, Tohru (JP) 2009-06-16 US claimed
US-20080108815-A1 Methods for preparing and using a zinc complex TOHRU KOIKE (JP) 2008-05-08 US claimed
US-20050038258-A1 Zinc complexes capable of capturing substances having anionic substituents TOHRU KOIKE (JP) 2005-02-17 US claimed
US-7547784-B2 Methods for preparing and using a zinc complex Koike, Tohru (JP) 2009-06-16 US disclosed
US-7547784-B2 Methods for preparing and using a zinc complex Koike, Tohru (JP) 2009-06-16 US disclosed
US-7547784-B2 Methods for preparing and using a zinc complex Koike, Tohru (JP) 2009-06-16 US disclosed
US-20080108815-A1 Methods for preparing and using a zinc complex TOHRU KOIKE (JP) 2008-05-08 US disclosed
US-20080108815-A1 Methods for preparing and using a zinc complex TOHRU KOIKE (JP) 2008-05-08 US disclosed
US-20080108815-A1 Methods for preparing and using a zinc complex TOHRU KOIKE (JP) 2008-05-08 US disclosed
US-7358363-B2 Zinc complexes capable of capturing substances having anionic substituents Koike, Tohru (JP) 2008-04-15 US disclosed
US-7358363-B2 Zinc complexes capable of capturing substances having anionic substituents Koike, Tohru (JP) 2008-04-15 US disclosed
US-7358363-B2 Zinc complexes capable of capturing substances having anionic substituents Koike, Tohru (JP) 2008-04-15 US disclosed
US-20050038258-A1 Zinc complexes capable of capturing substances having anionic substituents TOHRU KOIKE (JP) 2005-02-17 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-20050038258-A1 Zinc complexes capable of capturing substances having anionic substituents SLC39A3, SLC39A11, SLC30A6 CXCR4 770/4885CHRM2 2232/4885CHRM4 2095/4885
US-20080108815-A1 Methods for preparing and using a zinc complex SLC30A6, SLC30A7, CNBP CXCR4 539/4885CHRM2 3008/4885CHRM4 2567/4885

“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.