SCHEMBL7835369

SCHEMBL7835369

COCO[C@H]1CCN([C@H](CCCO)c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.39
▸ OPRM1 P35372 11/20 0.39
▸ OPRD1 P41143 10/20 0.39
▸ OPRK1 P41145 10/20 0.39
▸ OPRL1 P41146 10/20 0.39
▸ CHRM2 P08172 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL6974165 0.89 OPRL1 (0.42) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL7872456 0.89 OPRL1 (0.42) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL8508323 0.89 OPRL1 (0.42) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6974169 0.89 OPRL1 (0.42) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6979034 0.89 OPRL1 (0.42) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6982502 0.78 HRH3 (0.34) MCHR1HRH3
SCHEMBL6982504 0.78 HRH3 (0.34) MCHR1HRH3
SCHEMBL8475345 0.78 HRH3 (0.34) MCHR1HRH3
SCHEMBL6981689 0.77 SLC6A9 (0.36) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6979254 0.77 SLC6A2 (0.41) OPRM1OPRD1OPRK1OPRL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor ITO FUMITAKA (JP) 2001-07-26 — — 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-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor OPRL1, OPRD1, OPRK1 MCHR1 280/4885OPRM1 4/4885OPRD1 2/4885

“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.

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