SCHEMBL13099080

SCHEMBL13099080

COC1(C2CCCCC2)CCN(c2ccc(C(=O)CBr)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.50
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC3 O15379 1/20 0.36
SOD1 P00441 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL13273660 0.85 MAPT (0.49) MEN1KMT2AMAPTGFERSMN1; SMN2
SCHEMBL13099171 0.85 USP2 (0.52) MEN1KMT2AMAPTGFERSMN1; SMN2
SCHEMBL13099125 0.84 ALDH1A1 (0.51) MEN1KMT2AMAPTGFERSMN1; SMN2
SCHEMBL6132324 0.84 HDAC3 (0.43) MEN1KMT2AMAPTGFERSMN1; SMN2
SCHEMBL6132697 0.83 SIRT2 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6374849 0.82 HDAC3 (0.44) MEN1KMT2AMAPTSMN1; SMN2HDAC8
SCHEMBL6380498 0.81 HTT (0.45) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6132402 0.80 ALDH1A1 (0.46) MEN1KMT2AMAPTSMN1; SMN2HDAC8
SCHEMBL6373882 0.78 USP2 (0.47) MEN1KMT2AMAPTSMN1; SMN2USP2
SCHEMBL6379350 0.78 ALDH1A1 (0.47) MEN1KMT2AMAPTSMN1; SMN2HDAC8

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-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 GSK3B 4693/4885MEN1 995/4885KMT2A 3347/4885

“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.