SCHEMBL7040051

SCHEMBL7040051

CN(C(=O)c1ccc(CN)cc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
HSD11B1 P28845 2/20 0.54
HSD11B2 P80365 1/20 0.54
POLB P06746 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PTAFR P25105 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ACACB O00763 1/20 0.52
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
F2 P00734 1/20 0.47
MAPK14 Q16539 1/20 0.46
CNR2 P34972 1/20 0.46
ABL1 P00519 1/20 0.46

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
SCHEMBL9001766 0.87 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2GAAPOLBNPC1
SCHEMBL10453335 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAHSD11B1HSD11B2
SCHEMBL6000394 0.86 HPGD (0.53) ALDH1A1SMN1; SMN2GAAHSD11B1HSD11B2
SCHEMBL8119724 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAHSD11B1HSD11B2
SCHEMBL3455371 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAPOLBNPC1
SCHEMBL2575803 0.82 MEN1 (0.51) MEN1KMT2AF2
SCHEMBL8130980 0.81 POLB (0.62) ALDH1A1SMN1; SMN2GAAPOLBNPC1
SCHEMBL4488042 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2GAAPOLBNPC1
SCHEMBL95169 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAPOLBNPC1
SCHEMBL20460603 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 US disclosed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 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 (3 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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN ALDH1A1 2713/4885SMN1; SMN2 3711/4885GAA 276/4885
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 ALDH1A1 190/4885SMN1; SMN2 4752/4885GAA 1365/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 ALDH1A1 756/4885SMN1; SMN2 4795/4885GAA 1651/4885

“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.