SCHEMBL5489927

SCHEMBL5489927

[CH](CCN1CCCCC1)CCN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
CYP1A2 P05177 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL11179141 1.00 HRH3 (0.52) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL10846103 0.97 HRH3 (0.48) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL11889486 0.90 HRH3 (0.56) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL5248213 0.88 HRH3 (0.42) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL8434366 0.85 HRH3 (0.44) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL15658696 0.85 HRH3 (0.44) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL3469514 0.82 HRH3 (0.43) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL6570140 0.82 HRH3 (0.38) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL9305861 0.81 HRH3 (0.46) HRH3TSHR
SCHEMBL5319576 0.79 KEAP1 (0.47) HRH3ALDH1A1POLBMAPK1SMN1; SMN2

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 961/4885MAPT 4424/4885ALDH1A1 1113/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 HRH3 27/4885MAPT 3737/4885ALDH1A1 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.