SCHEMBL13801259

SCHEMBL13801259

O=CN1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 1/20 0.47
HTT P42858 2/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
CA12 O43570 1/20 0.45
RNASEH1 O60930 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL30858360 0.87 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL6243579 0.87 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL46402 0.83 CHRM1 (0.67) CHRM2CHRM4CHRM1CHRM3OPRM1
SCHEMBL6982576 0.82 CHRM2 (0.58) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3960105 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL14410199 0.81 OPRM1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL14417155 0.80 CHRM1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL791221 0.80 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7008960 0.80 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3954335 0.79 OPRM1 (0.73) SMN1; SMN2ALDH1A1CHRM1OPRM1OPRK1

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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 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 (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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS SMN1; SMN2 1400/4885ALDH1A1 2929/4885MEN1 596/4885

“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.