SCHEMBL5647632

SCHEMBL5647632

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.34
PTGS1 P23219 3/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 2/20 0.33
AKR1C3 P42330 2/20 0.33
CXCR1 P25024 2/20 0.33
CXCR2 P25025 2/20 0.33
ALB P02768 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX5 P09917 1/20 0.33
RARB P10826 1/20 0.33
ADRB3 P13945 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR2A P28223 1/20 0.33
NR1I3 Q14994 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
CXCL8 P10145 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C2 P52895 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL5650312 0.86 MEN1 (0.41) MEN1KMT2A
SCHEMBL5649734 0.83 F2 (0.41) CYP2C9TSHRCYP2D6CYP2C19MEN1
SCHEMBL5648990 0.82 F2 (0.32) PTGS2F2
SCHEMBL5649723 0.80 LIPE (0.37) CYP2D6MEN1ALDH1A1KMT2AHPGD
SCHEMBL5651456 0.79 LIPE (0.38) CYP2D6MEN1ALDH1A1KMT2AHPGD
SCHEMBL5651295 0.79 TP53 (0.43) LMNACYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL5649004 0.78 FFAR1 (0.36) ALDH1A1KMT2AF2
SCHEMBL5648163 0.77 OPRK1 (0.40) LMNATSHRMEN1KMT2A
SCHEMBL5649055 0.77 LOXL2 (0.38) MAPTF2
SCHEMBL5648545 0.77 MAPT (0.36) PTGS2LMNAMEN1MAPTKMT2A

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 1 patent. 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

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 PTGS2 396/4885PTGS1 253/4885LMNA 287/4885

“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.