SCHEMBL13099148

SCHEMBL13099148

COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc(N3CCC(OCC4CCCCC4)CC3)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
ADRA1A P35348 1/20 0.42
USP30 Q70CQ3 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
CHRM4 P08173 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ACKR3 P25106 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGDS O60760 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL13098793 0.83 KDM4E (0.45) ALDH1A1KDM4EMEN1KMT2AGPR119
SCHEMBL13099128 0.82 HRH3 (0.57) ADRA1AHRH3HSD17B10RAB9ANPC1
SCHEMBL13099161 0.82 ADRA1A (0.47) ADRA1AUSP30HRH3SMN1; SMN2ALDH1A1
SCHEMBL13098934 0.81 KDM4E (0.46) ADRA1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL13099155 0.77 ADORA3 (0.41) ADORA3ADRA1AHRH3SMN1; SMN2ALDH1A1
SCHEMBL13098799 0.73 ADORA3 (0.41) ADORA3ADRA1AHRH3SMN1; SMN2KDM4E
SCHEMBL13098921 0.73 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERAB9AMAPT
SCHEMBL6134644 0.72 HDAC3 (0.51) SMN1; SMN2ALDH1A1MAPTTSHRMEN1
SCHEMBL13098914 0.72 KDM4E (0.48) ALDH1A1HPGDKDM4ERAB9AMEN1
SCHEMBL13098873 0.70 KDM4E (0.44) ALDH1A1HPGDKDM4ERAB9AMEN1

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 ADORA3 4194/4885ADRA1A 4341/4885USP30 2128/4885

“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.