SCHEMBL3886570

SCHEMBL3886570

CCOC1Cc2ccccc2CCN1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.42
HTR1A P08908 3/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
PRCP P42785 1/20 0.41
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3697297 0.81 DRD2 (0.46) DRD2HTR1AMAOAMAOBDRD1
SCHEMBL10465500 0.80 HTR1A (0.40) DRD2HTR1AMAOAMAOBDRD1
SCHEMBL17662597 0.72 DRD2 (0.55) DRD2HTR1AMAOAMAOBDRD1
SCHEMBL19121066 0.72 DRD2 (0.55) DRD2HTR1AMAOAMAOBDRD1
Hydrochloric Acid SCHEMBL11458075 0.70 DRD2 (0.54) DRD2HTR1AMAOAMAOBDRD1
SCHEMBL162104 0.70 DRD2 (0.48) DRD2HTR1AMAOAMAOBDRD1
SCHEMBL10447404 0.69 CYP1A2 (0.55) HTR1AMAOAMAOBCYP1A2
SCHEMBL13049209 0.69 IDO1 (0.52) HTR1ADRD3PRMT5WDR77CYP1A2
SCHEMBL23057928 0.68 PRCP (0.56) DRD2HTR1ADRD1PRCP
SCHEMBL21890121 0.68 PRCP (0.56) DRD2HTR1ADRD1PRCP

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 DRD2 169/4885HTR1A 381/4885MAOA 1146/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 DRD2 184/4885HTR1A 386/4885MAOA 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.