SCHEMBL3787788

SCHEMBL3787788

O=C(O)N1CCNCC1(Cc1ccccc1)C(=O)OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
BCHE P06276 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3788943 0.81
SCHEMBL3783659 0.76 CHRM3 (0.39) F2PRSS1BCHEMAOBKDM4E
SCHEMBL28964629 0.71 KMT2A (0.45)
SCHEMBL1190778 0.71 KMT2A (0.45)
SCHEMBL1191157 0.71 KMT2A (0.45)
Hydrochloric Acid SCHEMBL20168209 0.69 KMT2A (0.40)
SCHEMBL4232398 0.69
SCHEMBL28308469 0.68 SIGMAR1 (0.44)
SCHEMBL15202304 0.68 KMT2A (0.39)
SCHEMBL28638489 0.68 EPHX2 (0.39)

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 F2 2238/4885PRSS1 1934/4885BCHE 3537/4885

“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.