SCHEMBL14005277

SCHEMBL14005277

O=C(c1ncccn1)N1CCN(c2cc(NCc3ccccc3)ncn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.65
PIK3CB P42338 1/20 0.61
SLC6A7 Q99884 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
ACHE P22303 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
METTL3 Q86U44 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CHRM2 P08172 1/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
CYP2D6 P10635 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL5029686 0.81 PIK3CB (0.80) HRH4PIK3CBACHESMN1; SMN2METTL3
SCHEMBL4896185 0.78 HRH4 (0.75) HRH4PIK3CBACHEMETTL3CYP1A2
SCHEMBL5029684 0.77 PIK3CB (1.00) HRH4PIK3CBACHEALDH1A1TSHR
SCHEMBL14005278 0.72 HRH4 (0.73) HRH4PIK3CBACHEMETTL3CYP1A2
SCHEMBL1774199 0.70 HRH4 (0.66) HRH4PIK3CBSMN1; SMN2METTL3CYP1A2
SCHEMBL18362124 0.69 LOXL2 (0.98) SLC6A7LOXL2SMN1; SMN2NPSR1ALDH1A1
SCHEMBL12321362 0.69 FAAH (0.53) HRH4SMN1; SMN2
SCHEMBL12321096 0.69 FAAH (0.50) HRH4LOXL2SMN1; SMN2
Hydrochloric Acid SCHEMBL20337902 0.68 LOXL2 (1.00) SLC6A7LOXL2SMN1; SMN2NPSR1ALDH1A1
SCHEMBL14421376 0.68 SMN1; SMN2 (0.57) HRH4PIK3CBSMN1; SMN2ALDH1A1TSHR

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 1565/4885PIK3CB 1550/4885SLC6A7 1585/4885

“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.