SCHEMBL5649396

SCHEMBL5649396

CN(CCc1ccccc1)CC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.53
OPRM1 P35372 6/20 0.51
OPRK1 P41145 6/20 0.51
OPRD1 P41143 4/20 0.51
SIGMAR1 Q99720 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
DRD2 P14416 3/20 0.43
DRD3 P35462 2/20 0.43
AOC3 Q16853 1/20 0.43
SLC18A3 Q16572 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL5651526 0.84 GBA1 (0.56) GBA1SIGMAR1SLC6A2SLC6A4
SCHEMBL10678630 0.79 SIGMAR1 (0.61) OPRM1OPRK1OPRD1SIGMAR1DRD3
SCHEMBL3581153 0.78 GRIN2B (0.56) GBA1OPRM1OPRK1SIGMAR1TAAR1
SCHEMBL8271850 0.76 GBA1 (0.34) GBA1SLC6A2SLC6A4SLC6A3
SCHEMBL8271487 0.76 SLC6A4 (0.66) DRD2SLC6A4
SCHEMBL784929 0.75 GBA1 (0.53) GBA1SIGMAR1DRD2SLC6A2SLC6A4
SCHEMBL26668497 0.75 EP300 (0.46) GBA1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9202649 0.75 SLC6A2 (0.42) SIGMAR1TAAR1SLC18A3SLC6A2SLC6A4
SCHEMBL2241250 0.74 GBA1 (0.66) GBA1SLC6A4
SCHEMBL11429483 0.74 KCNH2 (0.51) OPRM1OPRK1OPRD1SIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 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 (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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL GBA1 451/4885OPRM1 4488/4885OPRK1 3775/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL GBA1 474/4885OPRM1 4020/4885OPRK1 2938/4885

“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.