SCHEMBL373697

SCHEMBL373697

O=C(N1CCc2ccc(O)cc2CC1)C(F)(F)F

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.83
ESR1 P03372 12/20 0.83
DRD2 P14416 3/20 0.47
DRD1 P21728 3/20 0.47
DRD5 P21918 3/20 0.47
DRD3 P35462 3/20 0.47
ABHD6 Q9BV23 1/20 0.47
DRD4 P21917 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL8176145 0.91 ESR2 (1.00) ESR2ESR1DRD2DRD1DRD5
SCHEMBL2585109 0.86 ESR1 (0.62) ESR2ESR1ABHD6HDAC6
SCHEMBL373718 0.83 ESR1 (0.58) ESR2ESR1ABHD6HDAC6CA1
SCHEMBL7849236 0.83 ESR2 (0.58) ESR2ESR1ABHD6HDAC6CA1
SCHEMBL27176737 0.83 ESR1 (0.58) ESR2ESR1ABHD6HDAC6
SCHEMBL566629 0.83 ESR1 (0.58) ESR2ESR1ABHD6HDAC6CA1
SCHEMBL1787936 0.83 ABHD6 (0.60) ESR2ESR1ABHD6HDAC6
SCHEMBL7423258 0.81 ESR1 (0.57) ESR2ESR1ABHD6HDAC6
SCHEMBL506139 0.81 ESR1 (0.59) ESR2ESR1ABHD6
SCHEMBL1790256 0.80 ESR1 (0.56) ESR2ESR1ABHD6HDAC6CA1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2938345-B1 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING CO (US) 2018-08-22 EP disclosed
US-9284277-B2 Benzazepines as serotonin 5-HT2C receptor ligands and uses thereof ABT HOLDING COMPANY (US) 2016-03-15 US disclosed
US-9284277-B2 Benzazepines as serotonin 5-HT2C receptor ligands and uses thereof ABT HOLDING COMPANY (US) 2016-03-15 US disclosed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
US-20140194411-A1 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING COMPANY (US) 2014-07-10 US disclosed
US-20140194411-A1 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING COMPANY (US) 2014-07-10 US disclosed
US-20140194411-A1 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING COMPANY (US) 2014-07-10 US disclosed
WO-2014100815-A2 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING COMPANY (US) 2014-06-26 WO disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ESR2 128/4885ESR1 125/4885DRD2 169/4885
US-20140194411-A1 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF HTR2C, HTR2A, HTR5A ESR2 489/4885ESR1 772/4885DRD2 24/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 ESR2 130/4885ESR1 128/4885DRD2 184/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 ESR2 127/4885ESR1 141/4885DRD2 171/4885

“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.