SCHEMBL13099161

SCHEMBL13099161

NNC(=O)c1ccc(N2CCC(OCC3CCCCC3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.47
HRH3 Q9Y5N1 9/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
HPGDS O60760 2/20 0.45
NPC1 O15118 2/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MCHR1 Q99705 1/20 0.43
PKM P14618 1/20 0.42
USP30 Q70CQ3 2/20 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
SCHEMBL13099128 0.87 HRH3 (0.57) ADRA1AHRH3NPC1RAB9A
SCHEMBL6135038 0.83 HDAC3 (0.47) HRH3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13099148 0.82 ADORA3 (0.46) ADRA1AHRH3ALDH1A1SMN1; SMN2HPGD
SCHEMBL7325011 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGDHPGDSNPC1
SCHEMBL13098926 0.79 MAP4K4 (0.45) ADRA1A
SCHEMBL3598305 0.78 UBE2T (0.60) ALDH1A1SMN1; SMN2HPGDHPGDSNPC1
SCHEMBL13098938 0.76 ADRA1A (0.41) ADRA1A
SCHEMBL31747418 0.73 HRH3 (0.55) HRH3
SCHEMBL4930304 0.72 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HPGDHPGDSNPC1
SCHEMBL5638622 0.72 RAB9A (0.60) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 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-20100256048-A1 POLYPEPTIDE COMPOUND VIP, ANPEP, NPEPPS ADRA1A 4341/4885HRH3 2183/4885ALDH1A1 4854/4885

“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.