SCHEMBL6633133

SCHEMBL6633133

CN1C(=O)OCCC12CCN(Cc1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.47
DRD2 P14416 2/20 0.47
FAAH O00519 1/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MC4R P32245 1/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 2/20 0.44
OPRL1 P41146 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CHRM2 P08172 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL2083185 0.79 CYP3A4 (0.50) SIGMAR1DRD2CYP3A4HSD17B10MC4R
SCHEMBL15099396 0.77 OPRM1 (0.39) SIGMAR1FAAHCYP3A4MC4RCYP2D6
SCHEMBL2086353 0.77 MEN1 (0.51) SIGMAR1DRD2CYP3A4HSD17B10MC4R
SCHEMBL13768897 0.75 SIGMAR1 (0.48) SIGMAR1DRD2CYP3A4HSD17B10MC4R
SCHEMBL16367125 0.72 FAAH (0.38) SIGMAR1FAAHOPRL1GRIN2DGRIN3B
SCHEMBL9371893 0.72 GAA (0.53) SIGMAR1DRD2CYP3A4HSD17B10MC4R
SCHEMBL11367088 0.71 SIGMAR1 (0.56) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL11706610 0.70 FAAH (0.53) SIGMAR1FAAHMC4RCYP2D6TSHR
SCHEMBL17094573 0.70 SIGMAR1 (0.61) SIGMAR1FAAHMC4RCYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL11711349 0.69 FAAH (0.52) SIGMAR1FAAHMC4RCYP2D6TSHR

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
EP-1430898-A1 RECEPTOR ANTAGONIST KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-23 EP disclosed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 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 (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-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 SIGMAR1 80/4885DRD2 52/4885FAAH 2090/4885

“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.