SCHEMBL3690100

SCHEMBL3690100

CC(C)(C)OC(=O)N(CCc1ccc(Oc2ccc(C#N)c(Cl)c2)cc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.48
LPAR5 Q9H1C0 9/20 0.48
MRGPRX4 Q96LA9 1/20 0.42
AR P10275 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
PGR P06401 1/20 0.39
ACHE P22303 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LPAR3 Q9UBY5 1/20 0.38

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
SCHEMBL3690872 0.89 LPAR1 (0.46) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL14026227 0.85 LPAR1 (0.49) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL3696304 0.84 LPAR1 (0.50) LPAR1LPAR5LPAR3
SCHEMBL579680 0.80 LPAR1 (0.54) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL14132337 0.79 LPAR1 (0.44) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL9823156 0.78 HDAC1 (0.54) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL3701082 0.77 LPAR1 (0.47) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL579800 0.77 ALDH1A1 (0.52) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL14188105 0.77 NPY5R (0.53) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL6671644 0.76 LPAR1 (0.52) LPAR1LPAR5ACHELPAR3

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 20 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-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US 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-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 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-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 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-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2008-10-16 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-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 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
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
WO-2004026305-A9 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2004-05-13 WO disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 WO 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 LPAR1 230/4885LPAR5 334/4885MRGPRX4 87/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 LPAR1 233/4885LPAR5 329/4885MRGPRX4 84/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 LPAR1 228/4885LPAR5 309/4885MRGPRX4 90/4885

“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.