SCHEMBL5651456

SCHEMBL5651456

Cc1ccn(NCC2CCCCC2)c(=O)c1C(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.38
KMT2A Q03164 3/20 0.37
EPHX1 P07099 2/20 0.36
EPHX2 P34913 2/20 0.36
OPRK1 P41145 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2D6 P10635 1/20 0.35
MAPK14 Q16539 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
FAAH O00519 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL5649723 0.99 LIPE (0.37) LIPEKMT2AEPHX1EPHX2OPRK1
SCHEMBL5647632 0.79 PTGS2 (0.34) KMT2ACYP2D6MEN1ALDH1A1HPGD
SCHEMBL5648450 0.77 KDM4E (0.34) KMT2ATDP1MEN1PKMKDM4E
SCHEMBL5649734 0.76 F2 (0.41) KMT2ACYP2D6MEN1ALDH1A1
SCHEMBL27649091 0.75 F2 (0.39) KMT2AEPHX2NPC1RAB9AMAPK14
SCHEMBL5649004 0.71 FFAR1 (0.36) KMT2ARAB9AALDH1A1
SCHEMBL5649055 0.70 LOXL2 (0.38) EPHX2OPRK1KDM4E
SCHEMBL5650300 0.70
SCHEMBL5648938 0.69 SLC22A12 (0.38) KMT2AOPRK1NPC1RAB9AMEN1
SCHEMBL5652709 0.68 ALDH1A1 (0.36) KMT2ANPC1RAB9AKDM4EALDH1A1

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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1713774-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075424-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-08-18 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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT LIPE 431/4885KMT2A 2105/4885EPHX1 435/4885

“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.