SCHEMBL3103563

SCHEMBL3103563

NC1CC=CCN(OCc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
PREP P48147 2/20 0.41
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
TSHR P16473 1/20 0.35
KCNA5 P22460 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ALOX15 P16050 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
SCHEMBL3103570 1.00 ALDH1A1 (0.41) ALDH1A1PREPPSEN1PSEN2APH1B
SCHEMBL3103654 0.81 PREP (0.43) ALDH1A1PREPPSEN1PSEN2APH1B
SCHEMBL13244922 0.78 ALDH1A1 (0.44) ALDH1A1PREP
SCHEMBL7845558 0.78 ALDH1A1 (0.44) ALDH1A1PREP
SCHEMBL4701620 0.78 ALDH1A1 (0.44) ALDH1A1PREP
Hydrochloric Acid SCHEMBL4701828 0.77 ALDH1A1 (0.43) ALDH1A1PREP
Hydrochloric Acid SCHEMBL4700390 0.77 ALDH1A1 (0.43) ALDH1A1PREP
SCHEMBL13244810 0.75 ALDH1A1 (0.42) ALDH1A1PREP
SCHEMBL12494674 0.75 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2A
SCHEMBL12494683 0.75 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
EP-2089365-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-08-19 EP disclosed
US-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 US disclosed
WO-2008045668-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-17 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 (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-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 ALDH1A1 530/4885PREP 35/4885PSEN1 363/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 ALDH1A1 530/4885PREP 35/4885PSEN1 363/4885

“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.