SCHEMBL14005278

SCHEMBL14005278

COCCN1CCN(c2cc(NCc3ccccc3)ncn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.73
ACHE P22303 5/20 0.64
PIK3CB P42338 1/20 0.63
KDR P35968 1/20 0.53
METTL3 Q86U44 4/20 0.47
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAP4K4 O95819 1/20 0.45
LRRK2 Q5S007 2/20 0.45
P4HTM Q9NXG6 1/20 0.44

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
SCHEMBL4896185 0.83 HRH4 (0.75) HRH4ACHEPIK3CBMETTL3CYP1A2
SCHEMBL5029686 0.82 PIK3CB (0.80) HRH4ACHEPIK3CBMETTL3ALDH1A1
SCHEMBL14005279 0.81 DRD4 (0.48) HRH4ACHEPIK3CBKDRALDH1A1
SCHEMBL2573204 0.80 KDR (0.60) HRH4ACHEKDRHRH3MAP4K4
SCHEMBL5029684 0.77 PIK3CB (1.00) HRH4ACHEPIK3CBALDH1A1TSHR
SCHEMBL15114889 0.74 KDR (0.53) HRH4ACHEKDRCYP1A2CYP2C19
SCHEMBL1774562 0.73 HRH4 (0.68) HRH4KDRALDH1A1CYP1A2CYP2C19
SCHEMBL6801091 0.73 MAP4K4 (0.57) HRH4ACHEKDRCYP2C19HRH3
SCHEMBL1774199 0.73 HRH4 (0.66) HRH4PIK3CBMETTL3ALDH1A1TP53
SCHEMBL14005277 0.72 HRH4 (0.65) HRH4ACHEPIK3CBMETTL3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 HRH4 1565/4885ACHE 4875/4885PIK3CB 1550/4885

“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.