SCHEMBL2960118

SCHEMBL2960118

Nc1ccc(CN2CCNCC2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.50
SIGMAR1 Q99720 1/20 0.50
MEN1 O00255 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2C P18825 1/20 0.50
CCR2 P41597 1/20 0.50
CXCL12 P48061 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRM2 Q14416 1/20 0.42
HTR6 P50406 2/20 0.41

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
SCHEMBL29756449 0.85 ALDH1A1 (0.69) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL2921989 0.85 ALDH1A1 (0.69) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL5519966 0.85 ALDH1A1 (0.69) TDP1HRH3ALDH1A1HTT
SCHEMBL12239191 0.83 ALDH1A1 (0.72) TDP1HRH3ALDH1A1HTT
SCHEMBL4764938 0.81 CXCR4 (0.51) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL17994021 0.81 CXCR4 (0.50) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL17696101 0.81 SIGMAR1 (0.54) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL18054026 0.81 CXCR4 (0.51) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL22164021 0.81 LMNA (0.60) ALDH1A1HTTHTR6
SCHEMBL18491483 0.81 HRH3 (0.54) HRH3ALDH1A1HTT

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-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 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-20080306068-A1 Suppression cytokines, tumor necrosis factor TNF, TNFRSF1A, IL2 CXCR4 1413/4885SIGMAR1 2985/4885MEN1 1734/4885

“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.