SCHEMBL14768798

SCHEMBL14768798

CC(C)(C)NCC1CCN(Cc2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
ACHE P22303 5/20 0.46
SIGMAR1 Q99720 1/20 0.45
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
BACE1 P56817 2/20 0.42
CCR3 P51677 1/20 0.42

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
SCHEMBL28169774 0.85 CXCR4 (0.64) CXCR4ACHEBACE1CCR3
SCHEMBL803087 0.82 ACHE (0.49) ACHESIGMAR1HIF1AEPAS1CCR3
SCHEMBL21101233 0.79 SIGMAR1 (0.50) CXCR4ACHESIGMAR1HIF1AEPAS1
SCHEMBL19160313 0.79 KDM4E (0.49) ACHESIGMAR1CCR3
SCHEMBL14019295 0.77 DRD2 (0.51) ACHESIGMAR1HIF1AEPAS1
SCHEMBL803095 0.77 HSD11B1 (0.47) ACHESIGMAR1HIF1AEPAS1CCR3
SCHEMBL23012935 0.76 SIGMAR1 (0.56) CXCR4ACHESIGMAR1
SCHEMBL17030671 0.76 MEN1 (0.56) ACHESIGMAR1HIF1AEPAS1
SCHEMBL4700463 0.76 ACHE (0.49) ACHESIGMAR1HIF1AEPAS1CCR3
SCHEMBL4700460 0.76 ACHE (0.49) ACHESIGMAR1HIF1AEPAS1CCR3

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-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives Centro Nacional de Investigaceiones Oncologicas (CNIO) (ES) 2013-03-14 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-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives PIM1, PIM3, PIM2 CXCR4 1626/4885ACHE 4403/4885SIGMAR1 1579/4885

“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.