SCHEMBL3589201

SCHEMBL3589201

O=C(CNc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1)CNC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.51
POLB P06746 1/20 0.49
KLKB1 P03952 4/20 0.46
CYP3A4 P08684 1/20 0.45
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
EPHX1 P07099 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR1 P32246 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3594321 0.99 F10 (0.51) F10POLBKLKB1CYP3A4ALDH1A1
SCHEMBL3581950 0.86 POLB (0.57) F10POLBKLKB1CCR1MAPT
SCHEMBL3580419 0.85 F10 (0.56) F10POLBKLKB1CCR1MAPT
SCHEMBL3591639 0.85 F10 (0.56) F10POLBKLKB1CCR1MAPT
SCHEMBL3583006 0.85 POLB (0.58) F10POLBKLKB1CCR1MAPT
SCHEMBL4647614 0.85 KLKB1 (0.55) F10POLBKLKB1NPC1RAB9A
SCHEMBL3589199 0.84 POLB (0.49) F10POLBKLKB1CYP3A4CCR1
SCHEMBL3580391 0.84 POLB (0.56) F10POLBKLKB1CCR1MAPT
SCHEMBL3588454 0.84 POLB (0.54) F10POLBKLKB1CCR1MAPT
SCHEMBL3586757 0.83 POLB (0.53) F10POLBKLKB1CCR1MAPT

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
US-7732481-B2 Prolinylarylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 US claimed
US-20070185189-A1 Prolinylarylacetamides MERCK PATENT GMBH (DE) 2007-08-09 US claimed
US-7732481-B2 Prolinylarylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 US disclosed
US-20070185189-A1 Prolinylarylacetamides MERCK PATENT GMBH (DE) 2007-08-09 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-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.