SCHEMBL5489928

SCHEMBL5489928

[CH2]CC(CCN1CCCCC1)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 1/20 0.31

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
SCHEMBL11179160 1.00 HRH3 (0.39) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL10846104 0.98 HRH3 (0.36) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL11889487 0.88 HRH3 (0.46) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL5498786 0.78 IDO1 (0.34)
SCHEMBL5248220 0.77 FDPS (0.31)
SCHEMBL4508119 0.76 POLB (0.38) POLBSMN1; SMN2
SCHEMBL646006 0.76 KEAP1 (0.39) ALDH1A1POLBTSHRACHESMN1; SMN2
SCHEMBL2099926 0.75 HRH3 (0.40) HRH3LMNAALDH1A1MAPTTSHR
SCHEMBL6872232 0.74 HRH3 (0.42) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL6872234 0.74 HRH3 (0.42) HRH3LMNAALDH1A1MAPTPOLB

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-7173136-B2 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2007-02-06 US disclosed
US-20050282856-A1 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2005-12-22 US disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 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-20050282856-A1 3-Cyano-quinoline derivatives MKI67, CCNA1, CCNT1 HRH3 961/4885LMNA 422/4885ALDH1A1 1113/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 HRH3 27/4885LMNA 3652/4885ALDH1A1 315/4885

“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.