SCHEMBL3886571

SCHEMBL3886571

CCOC1CN(C)CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
DRD1 P21728 4/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PRCP P42785 2/20 0.42
HTR2A P28223 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
SCHEMBL3697299 0.83 SIGMAR1 (0.49) SIGMAR1DRD1MAOAMAOBDRD2
SCHEMBL10465502 0.81 SIGMAR1 (0.43) SIGMAR1DRD1DRD5CYP3A4CYP2D6
SCHEMBL9797639 0.79 SIGMAR1 (0.46) SIGMAR1DRD1MAOAMAOBDRD2
Hydrochloric Acid SCHEMBL9797661 0.78 SIGMAR1 (0.47) SIGMAR1DRD1MAOAMAOBDRD2
SCHEMBL14461584 0.77 IDO1 (0.59) MAOAMAOBDRD2
SCHEMBL9797341 0.75 DRD1 (0.49) SIGMAR1DRD1DRD2DRD4DRD5
SCHEMBL9797385 0.75 SIGMAR1 (0.43) SIGMAR1DRD1MAOAMAOBDRD2
Bromide SCHEMBL9797412 0.74 SIGMAR1 (0.42) SIGMAR1DRD1MAOAMAOBDRD2
SCHEMBL9797504 0.74 SLC6A2 (0.46) SIGMAR1DRD1MAOAMAOBDRD2
Bromide SCHEMBL9797187 0.74 DRD1 (0.48) SIGMAR1DRD1DRD2DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 US disclosed
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2008-10-16 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 (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-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 SIGMAR1 10/4885DRD1 144/4885MAOA 1146/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 SIGMAR1 10/4885DRD1 154/4885MAOA 1204/4885

“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.