SCHEMBL5459394

SCHEMBL5459394

CN1CCN(C(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.57
OPRK1 P41145 6/20 0.57
OPRL1 P41146 6/20 0.57
OPRD1 P41143 5/20 0.57
HTR2C P28335 1/20 0.57
DRD3 P35462 1/20 0.57
AVPR1A P37288 1/20 0.57
HSD17B10 Q99714 1/20 0.56
SLC18A3 Q16572 1/20 0.55
SLC6A9 P48067 1/20 0.54

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
SCHEMBL5329597 0.88 OPRM1 (0.62) OPRM1OPRK1OPRL1OPRD1HTR2C
SCHEMBL5962828 0.87 HSD17B10 (0.68) OPRM1OPRK1OPRL1OPRD1HSD17B10
SCHEMBL21634299 0.85 HSD17B10 (0.62) OPRM1OPRK1OPRL1OPRD1HTR2C
SCHEMBL318707 0.84 HSD17B10 (0.65) OPRM1OPRK1OPRL1OPRD1HTR2C
SCHEMBL1761014 0.82 OPRL1 (0.64) OPRM1OPRK1OPRL1OPRD1HTR2C
SCHEMBL13853705 0.81 OPRK1 (0.58) OPRM1OPRK1OPRL1OPRD1HTR2C
SCHEMBL14263125 0.81 CCR3 (0.57) OPRM1OPRK1OPRL1OPRD1HTR2C
SCHEMBL21634315 0.81 HSD17B10 (0.60) OPRM1OPRK1OPRL1OPRD1HTR2C
SCHEMBL14543210 0.81 HSD17B10 (0.60) OPRM1OPRK1OPRL1OPRD1HSD17B10
SCHEMBL13925107 0.80 OPRK1 (0.59) OPRM1OPRK1OPRL1OPRD1HTR2C

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-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression ASTRAZENECA AB (SE) 2007-10-25 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-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression HRH3, HRH1, HRH4 OPRM1 45/4885OPRK1 41/4885OPRL1 27/4885

“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.