SCHEMBL17486201

SCHEMBL17486201

CC1(C)OB(c2cnc(-c3ccc4c(c3)C3CCC4C3)c(C#N)c2)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
LPL P06858 4/20 0.31
LIPG Q9Y5X9 4/20 0.31
DGAT1 O75907 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
SCHEMBL19295089 0.84 LPL (0.37) PDGFRBKDRLPLLIPGDGAT1
SCHEMBL19295082 0.78 DGAT1 (0.47) PDGFRBKDRLPLLIPGDGAT1
SCHEMBL19300306 0.78 DGAT1 (0.36) PDGFRBKDRLPLLIPGDGAT1
SCHEMBL17486287 0.76 CHRNA1 (0.34)
SCHEMBL17486200 0.76 DGAT1 (0.34) PDGFRBKDRLPLLIPGDGAT1
SCHEMBL19295102 0.76 IKBKB (0.34) DGAT1
SCHEMBL17486295 0.74 LPL (0.32) LPLLIPG
SCHEMBL2427133 0.73 ESR2 (0.38) LPLLIPG
SCHEMBL19794326 0.73 DGAT1 (0.49) PDGFRBKDRLPLLIPGDGAT1
SCHEMBL15614879 0.73 LIPG (0.41) LPLLIPG

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-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 PDGFRB 4861/4885KDR 4513/4885LPL 3163/4885

“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.