SCHEMBL3783659

SCHEMBL3783659

NCCN1CCN(C(=O)O)C(Cc2ccccc2)(C(=O)OC2CCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRMT3 O60678 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT1 Q99873 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
BCHE P06276 2/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL3787788 0.76 F2 (0.41) F2PRSS1BCHEMAOBKDM4E
SCHEMBL443388 0.66
SCHEMBL443387 0.66
SCHEMBL4232398 0.66
SCHEMBL3783660 0.65 KLK7 (0.47) SIGMAR1
SCHEMBL30337087 0.63 KMT2A (0.54) KDM4ESIGMAR1
SCHEMBL14673484 0.62
SCHEMBL27907187 0.62 SCN1A (0.49) CHRM3KDM4E
SCHEMBL693699 0.62
SCHEMBL4860837 0.62 SIGMAR1 (0.49) PRMT3CARM1PRMT6PRMT1PRMT8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 CHRM3 2328/4885F2 2238/4885PRSS1 1934/4885

“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.