SCHEMBL12662103

SCHEMBL12662103

[2H]Cc1ccc(Bc2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ NQO2 P16083 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HPGD P15428 1/20 0.30

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
SCHEMBL18827728 0.82 ACHE (0.53) LMNATSHRALOX12ACHENQO2
Water SCHEMBL27955558 0.80 ACHE (0.50) LMNATSHRALOX12ACHENQO2
SCHEMBL26417080 0.79 BBOX1 (0.39) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL3837745 0.76 — —
SCHEMBL339826 0.76 BBOX1 (0.41) LMNATSHRALOX12ACHEALDH1A1
Benzene SCHEMBL27586265 0.73 BBOX1 (0.39) LMNATSHRALOX12ACHEALDH1A1
Bromide SCHEMBL9081012 0.73 BBOX1 (0.39) LMNATSHRALOX12ACHEALDH1A1
Hydrochloric Acid SCHEMBL30702244 0.73 BBOX1 (0.39) LMNATSHRALOX12ACHEALDH1A1
SCHEMBL338835 0.70 ACHE (0.57) LMNATSHRALOX12ACHENQO2
SCHEMBL14599316 0.67 CA12 (0.53) LMNAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 — — US disclosed
US-20110105571-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY (US) 2011-05-05 — — US disclosed
US-7902372-B2 Therapy for obesity; using a secondary amino compound ELI LILLY AND COMPANY (US) 2011-03-08 — — US disclosed
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS CHAPPELL MARK DONALD 2008-08-28 — — US disclosed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 — — US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 — — 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-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 LMNA 3778/4885TSHR 195/4885ALOX12 2831/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 LMNA 3778/4885TSHR 195/4885ALOX12 2831/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 LMNA 3778/4885TSHR 195/4885ALOX12 2831/4885

“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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