SCHEMBL3593333

SCHEMBL3593333

O=C(CNc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1)CN1CCCC(CC2CCCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.47
POLB P06746 1/20 0.44
KLKB1 P03952 4/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR1 P32246 3/20 0.37
ALOX5 P09917 1/20 0.37
KMT2A Q03164 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
SCHEMBL3577168 0.86 F10 (0.46) F10POLBKLKB1TP53MAPT
SCHEMBL4648342 0.85 F10 (0.54) F10POLBKLKB1TP53MAPT
SCHEMBL3576970 0.82 F10 (0.61) F10POLBKLKB1MAPTL3MBTL1
SCHEMBL3589201 0.81 F10 (0.51) F10POLBKLKB1TP53MAPT
SCHEMBL3594321 0.80 F10 (0.51) F10POLBKLKB1MAPTCYP3A4
SCHEMBL3577935 0.80 F10 (0.51) F10POLBKLKB1MAPTL3MBTL1
SCHEMBL3591639 0.80 F10 (0.56) F10POLBKLKB1MAPTL3MBTL1
SCHEMBL3580419 0.80 F10 (0.56) F10POLBKLKB1MAPTL3MBTL1
SCHEMBL4647614 0.79 KLKB1 (0.55) F10POLBKLKB1TP53MAPT
SCHEMBL3581950 0.79 POLB (0.57) F10POLBKLKB1MAPTCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732481-B2 Prolinylarylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 US claimed
EP-1697318-B1 PROLINYLARYLACETAMIDES MERCK PATENT GMBH (DE) 2008-08-27 EP claimed
US-20070185189-A1 Prolinylarylacetamides MERCK PATENT GMBH (DE) 2007-08-09 US claimed

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-20070185189-A1 Prolinylarylacetamides F12, F11, F2 F10 5/4885POLB 3435/4885KLKB1 1086/4885

“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.