SCHEMBL4701620

SCHEMBL4701620

NC1CCN(OCc2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
PREP P48147 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CTSC P53634 1/20 0.38
CTSF Q9UBX1 1/20 0.38

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
SCHEMBL13244922 1.00 ALDH1A1 (0.44) ALDH1A1PREPSMN1; SMN2CYP2C19NPC1
SCHEMBL7845558 1.00 ALDH1A1 (0.44) ALDH1A1PREPSMN1; SMN2CYP2C19NPC1
Hydrochloric Acid SCHEMBL4701828 0.98 ALDH1A1 (0.43) ALDH1A1PREPSMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL4700390 0.98 ALDH1A1 (0.43) ALDH1A1PREPSMN1; SMN2CYP2C19
SCHEMBL13244810 0.91 ALDH1A1 (0.42) ALDH1A1PREPSMN1; SMN2CYP2C19NPC1
Bromide SCHEMBL3119408 0.90 ALDH1A1 (0.41) ALDH1A1PREPSMN1; SMN2CYP2C19NPC1
Bromide SCHEMBL3119410 0.90 ALDH1A1 (0.41) ALDH1A1PREPSMN1; SMN2CYP2C19NPC1
Trifluoroacetic Acid SCHEMBL4700417 0.89 PREP (0.40) ALDH1A1PREPSMN1; SMN2CYP2C19NPC1
Trifluoroacetic Acid SCHEMBL4700336 0.89 PREP (0.40) ALDH1A1PREPSMN1; SMN2CYP2C19NPC1
Bromide SCHEMBL3119404 0.88 PREP (0.40) ALDH1A1PREPSMN1; SMN2CYP2C19NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
EP-1434485-B1 NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES FOR USE AS PESTICIDES MERIAL LTD (US) 2007-05-16 EP disclosed
US-7132434-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20050026990-A1 Novel metalloproteinase ihibitors ASTRAZENECA AB (SE) 2005-02-03 US disclosed
EP-1444202-A1 NOVEL METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040098-A1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2003-05-15 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-20050026990-A1 Novel metalloproteinase ihibitors MMP12, MMP1, MMP16 ALDH1A1 246/4885PREP 66/4885SMN1; SMN2 3575/4885

“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.