SCHEMBL375867

SCHEMBL375867

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.35
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
TPSAB1 Q15661 6/20 0.32
TPSD1 Q9BZJ3 6/20 0.32
TPSG1 Q9NRR2 6/20 0.32
ALOX15 P16050 1/20 0.31
NPC1 O15118 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL375868 0.82 TPSAB1 (0.36) CHRM3TPSAB1TPSD1TPSG1SMN1; SMN2
SCHEMBL3783660 0.80 KLK7 (0.47) SMN1; SMN2
SCHEMBL9937434 0.79 CHRM2 (0.37) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL376023 0.77 ALOX15 (0.32) ALOX15
SCHEMBL9937901 0.73 BCHE (0.43) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL1393516 0.69 ALOX15 (0.40) CHRM4ALOX15SMN1; SMN2
SCHEMBL375890 0.69 PDE4B (0.43)
SCHEMBL376353 0.68 HTR6 (0.34) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL3572416 0.66 ALOX15 (0.36) ALOX15
SCHEMBL16458941 0.65 HSD17B10 (0.46) NPC1SMN1; SMN2

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
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
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
EP-2079743-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER Chroma Therapeutics Limited (GB) 2009-07-22 EP disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 WO 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 2328/4885CHRM2 1636/4885CHRM4 3037/4885

“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.