SCHEMBL492809

SCHEMBL492809

CC(Oc1ccccc1)C(=O)NCC1CCC(C(c2ccc(Cl)cc2)N(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
GHSR Q92847 2/20 0.41
GPR88 Q9GZN0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGIR P43119 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL493195 0.93 GAA (0.46) POLBCTDSP1TDP1SMN1; SMN2GAA
SCHEMBL493717 0.90 GAA (0.43) POLBTDP1SMN1; SMN2GAAALDH1A1
SCHEMBL1326645 0.85 CNR1 (0.49) SMN1; SMN2MEN1KMT2APTGIR
SCHEMBL493131 0.84 MEN1 (0.47) GAAMAPTGPR88MEN1KMT2A
SCHEMBL493554 0.83 TSHR (0.46) SMN1; SMN2ALDH1A1GPR88PTGIR
SCHEMBL492546 0.83 GAA (0.50) POLBSMN1; SMN2GAAALDH1A1MAPT
SCHEMBL492662 0.82 GAA (0.42) POLBCTDSP1TDP1SMN1; SMN2GAA
SCHEMBL493447 0.81 GAA (0.46) POLBSMN1; SMN2GAAALDH1A1MAPT
SCHEMBL1326835 0.78 P2RX7 (0.52) ALDH1A1
SCHEMBL2308011 0.78 CNR2 (0.50) SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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 (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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD POLB 2120/4885CTDSP1 1121/4885TDP1 3893/4885
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R POLB 3017/4885CTDSP1 962/4885TDP1 3817/4885

“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.