SCHEMBL3096396

SCHEMBL3096396

Brc1nnc(-c2ccc(-c3cnc(N4CCC(OC5CCCCC5)CC4)nc3)cc2)s1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.37
SCD O00767 5/20 0.35
PIM1 P11309 2/20 0.31
PIM3 Q86V86 2/20 0.31
PIM2 Q9P1W9 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
SCHEMBL13098829 0.99 HRH3 (0.36) HRH3SCDPIM1PIM3PIM2
SCHEMBL3113153 0.88 PIM1 (0.42) SCDPIM1PIM3PIM2
SCHEMBL13098826 0.86 PIM1 (0.43) SCDPIM1PIM3PIM2
SCHEMBL13273259 0.81 HRH3 (0.43) HRH3
SCHEMBL3107287 0.81 HRH3 (0.43) HRH3
SCHEMBL3102261 0.81 HRH3 (0.43) HRH3
SCHEMBL13099102 0.81 HRH3 (0.40) HRH3
SCHEMBL13099181 0.81 HRH3 (0.40) HRH3
SCHEMBL13098832 0.80 HRH3 (0.42) HRH3
SCHEMBL13098833 0.80 HRH3 (0.42) HRH3

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
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

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 HRH3 2183/4885SCD 4572/4885PIM1 471/4885

“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.