SCHEMBL6710673

SCHEMBL6710673

CCOc1cc(C)ccc1NC1CCN(C(C)=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
NOS2 P35228 5/20 0.51
NOS1 P29475 4/20 0.51
NOS3 P29474 2/20 0.51
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CDK2 P24941 1/20 0.48
LMNA P02545 3/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
USP2 O75604 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
BAP1 Q92560 1/20 0.44

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
SCHEMBL3378220 0.80 L3MBTL1 (0.42) NOS2NOS1NOS3LMNAHSD17B10
SCHEMBL9965468 0.80 MAPT (0.46) MAPTNOS2NOS1NOS3TP53
SCHEMBL6710666 0.79 CHRM4 (0.49) MAPTLMNAHSD17B10GLACTDSP1
SCHEMBL18010741 0.79 OPRM1 (0.46) MAPTNOS2NOS1NOS3KMT2A
SCHEMBL6709573 0.77 TSHR (0.41) MAPTALOX15TSHRKMT2AL3MBTL1
SCHEMBL3378226 0.76 DRD2 (0.43) HSD17B10GAAL3MBTL1
SCHEMBL8257196 0.75 NOS2 (0.61) MAPTNOS2NOS1NOS3LMNA
SCHEMBL21350959 0.74 MAPT (0.64) MAPTNOS2NOS1NOS3CDK1
SCHEMBL10223697 0.73 QDPR (0.46) MAPTCDK1CDK4CCND1CDK2
SCHEMBL6710759 0.73 DRD2 (0.67) HSD17B10KMT2A

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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 MAPT 3175/4885NOS2 1229/4885NOS1 1516/4885

“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.