SCHEMBL6497863

SCHEMBL6497863

CN(C)CC(=O)N[C@H]1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
OPRK1 P41145 1/20 0.44
AHCY P23526 1/20 0.41
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CDK2AP1 O14519 2/20 0.38
CHEK1 O14757 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
PBK Q96KB5 1/20 0.37
SLC6A1 P30531 2/20 0.37
SLC6A11 P48066 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
SLC6A13 Q9NSD5 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F2 P00734 1/20 0.36

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
SCHEMBL16509289 0.81 MAPK1 (0.47) MAPK1OPRK1CHRM5CHRM3SIGMAR1
SCHEMBL12507029 0.81 MAPK1 (0.47) MAPK1OPRK1CHRM5CHRM3SIGMAR1
SCHEMBL6505347 0.80 EPHX1 (0.53) CHRM5CHRM3SIGMAR1SMN1; SMN2NPSR1
SCHEMBL18629569 0.79 NPSR1 (0.56) SMN1; SMN2LMNAMAPTALDH1A1NPSR1
SCHEMBL20758976 0.79 GNAI3 (0.49) MAPK1OPRK1CHRM5CHRM3SIGMAR1
SCHEMBL13460003 0.79 GNAI3 (0.49) MAPK1OPRK1CHRM5CHRM3SIGMAR1
SCHEMBL18956849 0.78 CPN1 (0.46) MAPK1OPRK1CHRM5CHRM3SIGMAR1
SCHEMBL16801898 0.78 MAPK1 (0.47) MAPK1OPRK1CDK2AP1CHEK1SMN1; SMN2
SCHEMBL2261600 0.78 MAPK1 (0.47) MAPK1OPRK1CDK2AP1CHEK1SMN1; SMN2
SCHEMBL12413713 0.77 MAPK1 (0.44) MAPK1OPRK1CHRM5CHRM3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 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-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 MAPK1 1239/4885OPRK1 463/4885AHCY 3106/4885

“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.