SCHEMBL6166972

SCHEMBL6166972

CN1CCN(C(=O)COc2ccccc2C=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 2/20 0.60
RAD52 P43351 1/20 0.60
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
KEAP1 Q14145 3/20 0.55
NFE2L2 Q16236 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.51
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL6166729 0.86 POLB (0.66) MEN1KMT2AALDH1A1POLBPTGDR2
SCHEMBL7316803 0.84 FKBP1A (0.67) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL10586023 0.83 TSHR (0.78) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL14027975 0.82 MEN1 (0.67) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL5061551 0.79 LMNA (0.56) MEN1KMT2AALDH1A1POLBPTGDR2
SCHEMBL14578666 0.77 L3MBTL1 (0.89) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL22697354 0.76 POLB (0.59) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL8723365 0.75 TSHR (0.83) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL21994956 0.75 ALDH1A1 (0.50) MEN1KMT2AALDH1A1RAD52POLB
SCHEMBL1040183 0.75 KMT2A (0.63) MEN1KMT2AALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432686-B1 TETRAHYDROISOCHINOLINES, THEIR PRODUCTION AND THE USE THEREOF AS ANALGESICS BAYER HEALTHCARE AG (DE) 2005-06-29 EP disclosed
US-20050049240-A1 Tetrahydroisochinolines, their production and the use thereof as analgesics BAYER HEALTHCARE AG (DE) 2005-03-03 US disclosed
EP-1432686-A1 TETRAHYDROISOCHINOLINES, THEIR PRODUCTION AND THE USE THEREOF AS ANALGESICS Bayer HealthCare AG (DE) 2004-06-30 EP disclosed
WO-2003029221-A1 TETRAHYDROISOCHINOLINES, THEIR PRODUCTION AND THE USE THEREOF AS ANALGESICS BAYER HEALTHCARE AG (DE) 2003-04-10 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-20050049240-A1 Tetrahydroisochinolines, their production and the use thereof as analgesics OPRL1, OPRK1, TPMT MEN1 1822/4885KMT2A 2328/4885ALDH1A1 1251/4885

“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.