SCHEMBL3697297

SCHEMBL3697297

COC1Cc2ccccc2CCN1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.46
▸ DRD1 P21728 7/20 0.46
▸ DRD5 P21918 5/20 0.46
▸ DRD3 P35462 4/20 0.46
▸ DRD4 P21917 3/20 0.46
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ PRCP P42785 1/20 0.44
▸ PNPLA2 Q96AD5 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR7 P34969 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
SCHEMBL3886570 0.81 DRD2 (0.42) DRD2DRD1DRD5DRD3DRD4
SCHEMBL19121066 0.76 DRD2 (0.55) DRD2DRD1DRD5DRD3DRD4
SCHEMBL17662597 0.76 DRD2 (0.55) DRD2DRD1DRD5DRD3DRD4
SCHEMBL10465500 0.75 HTR1A (0.40) DRD2DRD1DRD5DRD3DRD4
SCHEMBL162104 0.74 DRD2 (0.48) DRD2DRD1DRD5DRD3DRD4
Hydrochloric Acid SCHEMBL11458075 0.74 DRD2 (0.54) DRD2DRD1DRD5DRD3DRD4
SCHEMBL28749727 0.70 DRD2 (0.41) DRD2DRD3HTR2AHTR2C
SCHEMBL28922653 0.69 HTR2C (0.47) HTR2AHTR2C
SCHEMBL164206 0.69 DRD1 (0.85) DRD2DRD1DRD5DRD3DRD4
SCHEMBL29391320 0.69 DRD1 (0.85) DRD2DRD1DRD5DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 — — EP disclosed
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
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 — — US disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 — — 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 (3 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 169/4885DRD1 144/4885DRD5 177/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 DRD2 184/4885DRD1 154/4885DRD5 195/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 DRD2 171/4885DRD1 156/4885DRD5 195/4885

“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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