SCHEMBL6522401

SCHEMBL6522401

COCCN1CCCC[C@H](N)C1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.43
MMP3 P08254 6/20 0.43
DPP4 P27487 4/20 0.38
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
PARP1 P09874 1/20 0.32

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
Hydrochloric Acid SCHEMBL15124169 0.98 MMP1 (0.43) MMP1MMP3DPP4ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL15124168 0.98 MMP1 (0.43) MMP1MMP3DPP4ALDH1A1CYP3A4
SCHEMBL10268571 0.95 MMP1 (0.39) MMP1MMP3DPP4ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL15124307 0.94 MMP1 (0.39) MMP1MMP3DPP4ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL319091 0.94 MMP1 (0.39) MMP1MMP3DPP4ALDH1A1CYP3A4
SCHEMBL2687128 0.88 DPP4 (0.42) MMP1MMP3DPP4ALDH1A1CYP3A4
SCHEMBL15130699 0.81 CYP3A4 (0.37) MMP1MMP3DPP4CYP3A4TSHR
SCHEMBL4701570 0.81 CYP3A4 (0.37) MMP1MMP3DPP4CYP3A4TSHR
SCHEMBL12494329 0.79 SMN1; SMN2 (0.44) MMP1MMP3DPP4ALDH1A1CYP3A4
SCHEMBL12525641 0.79 SMN1; SMN2 (0.44) MMP1MMP3DPP4ALDH1A1CYP3A4

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-20050182046-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2005-08-18 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-20050182046-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 MMP1 1728/4885MMP3 1471/4885DPP4 549/4885

“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.