SCHEMBL4368534

SCHEMBL4368534

CC(=O)N1C[C@@H](N)C[C@H]1CO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.50
ANPEP P15144 1/20 0.50
ATM Q13315 1/20 0.39
ABCB1 P08183 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31

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
SCHEMBL30476580 1.00 MMP2 (0.50) MMP2ANPEPATMABCB1POLB
SCHEMBL26615005 0.82 MMP2 (0.36) MMP2ANPEPPOLBL3MBTL1
SCHEMBL21111019 0.82 MMP2 (0.36) MMP2ANPEPPOLBL3MBTL1
SCHEMBL3032663 0.82 ATM (0.53) MMP2ANPEPATMABCB1POLB
SCHEMBL18720347 0.82 ATM (0.53) MMP2ANPEPATMABCB1POLB
SCHEMBL376608 0.82 MMP2 (0.36) MMP2ANPEPPOLBL3MBTL1
SCHEMBL3032665 0.82 ATM (0.53) MMP2ANPEPATMABCB1POLB
Hydrochloric Acid SCHEMBL21682304 0.81 MMP2 (0.35) MMP2ANPEPPOLBL3MBTL1
Hydrochloric Acid SCHEMBL15265472 0.81 MMP2 (0.35) MMP2ANPEPPOLBL3MBTL1
SCHEMBL21702577 0.79 MMP2 (0.38) MMP2ANPEPATMPOLBL3MBTL1

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-20090118353-A1 Medicinal composition KITAJIMA AKIHIKO 2009-05-07 US disclosed
US-7485665-B2 Medicinal composition NAGASE CHEMTEX CORPORATION (JP) 2009-02-03 US disclosed
US-20050239861-A1 Medicinal composition NAGASE CHEMTEX CORPORATION (JP) 2005-10-27 US disclosed
EP-1547593-A1 MEDICINAL COMPOSITION Nagase Chemtex Corporation (JP) 2005-06-29 EP 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 (2 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-20050239861-A1 Medicinal composition HTR4, HTR2C, HTR1A MMP2 160/4885ANPEP 1122/4885ATM 4070/4885
US-20090118353-A1 Medicinal composition HTR4, FABP2, SLC10A2 MMP2 117/4885ANPEP 924/4885ATM 3644/4885

“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.