SCHEMBL3104764

SCHEMBL3104764

COC(=O)c1ccc(-c2cnc(N3CCN(CC4CCCC4)CC3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
BDKRB1 P46663 2/20 0.43
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
CHRM4 P08173 1/20 0.40
MELK Q14680 1/20 0.40
MERTK Q12866 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
SLC6A7 Q99884 2/20 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
SCHEMBL3107802 0.86 CASP1 (0.41) CASP1CASP4CASP5CHRM4CD274
SCHEMBL13098873 0.82 KDM4E (0.44) CD274
SCHEMBL13098944 0.81 HRH3 (0.43) CHKADRD2DRD4MELKSLC6A7
SCHEMBL13098927 0.81 GPR119 (0.44) CHKADRD2DRD4MELK
SCHEMBL13098940 0.78 DRD2 (0.46) DRD2DRD4CHRM4MELK
SCHEMBL6241221 0.78 USP2 (0.46) CHKABDKRB1CHRM4
SCHEMBL6132282 0.77 PDE4D (0.46) CHKACHRM4
SCHEMBL13098776 0.77 OPRD1 (0.47) CASP1SLC6A7
SCHEMBL6234622 0.76 HDAC3 (0.57) CHRM4
SCHEMBL3091650 0.76 KDM4E (0.36) BDKRB1CASP1CASP4CASP5CHRM4

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 5 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
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 CHKA 2702/4885DRD2 2677/4885DRD4 1445/4885

“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.