SCHEMBL4955392

SCHEMBL4955392

O=C(O)[C@H](CO)NNC1CCCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CHRM2 P08172 6/20 0.33
▸ CHRM4 P08173 6/20 0.33
▸ CHRM5 P08912 6/20 0.33
▸ CHRM1 P11229 6/20 0.33
▸ CHRM3 P20309 6/20 0.33
▸ ACE P12821 5/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL4955491 0.78 LTA4H (0.33) ALDH1A1HSD17B10ACE
SCHEMBL4954448 0.75 ALDH1A1 (0.35) ALDH1A1HSD17B10
SCHEMBL4955982 0.71 BBOX1 (0.35) POLBL3MBTL1
SCHEMBL27973416 0.71 POLB (0.34) ALDH1A1HSD17B10POLBL3MBTL1
SCHEMBL29588126 0.70 HTT (0.37) ALDH1A1HSD17B10POLB
SCHEMBL15392569 0.70 HPGD (0.37) ALDH1A1HSD17B10CHRM2CHRM4CHRM5
SCHEMBL2732689 0.69 HPGD (0.38) ALDH1A1HSD17B10
SCHEMBL27689582 0.67 HTT (0.43) ALDH1A1HSD17B10POLBL3MBTL1
SCHEMBL3798847 0.67 EPHX2 (0.36) ALDH1A1L3MBTL1
SCHEMBL15414815 0.66 RIPK1 (0.36) ALDH1A1HSD17B10POLB

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-7439226-B2 Serine protease inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-10-21 — — US disclosed
WO-2006043933-A1 SERINE PROTEASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-04-27 — — WO disclosed
US-20050130883-A1 Serine protease inhibitors THE GOV. OF THE USA AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES 2005-06-16 — — 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-20050130883-A1 Serine protease inhibitors PRSS1, TASP1, METAP1 ALDH1A1 3352/4885HSD17B10 2758/4885CHRM2 4838/4885

“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.

Send feedback