SCHEMBL3094565

SCHEMBL3094565

N#Cc1ccc(-c2cnc(N3CCC(OC4CCCCC4)CC3)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
HRH3 Q9Y5N1 10/20 0.43
KCNH2 Q12809 2/20 0.43
GPR119 Q8TDV5 1/20 0.41
SLC6A7 Q99884 1/20 0.41
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
DGAT1 O75907 1/20 0.40
HTR6 P50406 1/20 0.38
HSD11B1 P28845 1/20 0.38
SLC6A4 P31645 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL13108409 0.99 KDM1A (0.44) KDM1AHRH3KCNH2GPR119SLC6A7
SCHEMBL3525910 0.81 HRH3 (0.62) KDM1AHRH3KCNH2HSD11B1
SCHEMBL6132583 0.78 HRH3 (0.50) HRH3GPR119
SCHEMBL1743204 0.76 HRH3 (0.48) KDM1AHRH3KCNH2GPR119SLC6A7
SCHEMBL3096396 0.76 HRH3 (0.37) HRH3
SCHEMBL6785572 0.76 HRH3 (0.49) KDM1AHRH3SLC6A7HRH2HRH1
SCHEMBL3113153 0.75 PIM1 (0.42)
SCHEMBL13098829 0.75 HRH3 (0.36) HRH3
SCHEMBL13098944 0.75 HRH3 (0.43) HRH3GPR119SLC6A7
SCHEMBL13098826 0.74 PIM1 (0.43)

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 4 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
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP disclosed
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP 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 KDM1A 3665/4885HRH3 2183/4885KCNH2 3669/4885

“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.