SCHEMBL1629398

SCHEMBL1629398

COc1ccc(C23CCC(F)(F)CC2Oc2ccc(F)cc23)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 2/20 0.39
RXRA P19793 1/20 0.35
MAOA P21397 1/20 0.34
AKR1B1 P15121 4/20 0.33
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
KDM1A O60341 2/20 0.32
SLC6A2 P23975 4/20 0.31
SLC6A4 P31645 4/20 0.31
SLC6A3 Q01959 4/20 0.31

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
SCHEMBL1629061 0.88 ATM (0.37) HTR2AHTR2CRXRAMAOACYP3A4
SCHEMBL1629220 0.85 MAOB (0.39) HTR2AHTR2CHTR2BRXRAMAOA
SCHEMBL1628924 0.83 RXRA (0.37) RXRAAKR1B1
SCHEMBL1630290 0.81 MAOA (0.35) RXRAMAOABACE1KDM1A
SCHEMBL1629396 0.79 OPRK1 (0.37) AKR1B1
SCHEMBL13884976 0.76 MAOB (0.39) RXRAMAOAAKR1B1KDM1A
SCHEMBL15061020 0.75 DRD4 (0.33) RXRAMAOA
SCHEMBL10042129 0.75 RXRA (0.38) RXRAAKR1B1
SCHEMBL1630016 0.74 HSD11B1 (0.34) RXRAMAOA
SCHEMBL19499838 0.74 MAOB (0.39) RXRAMAOAAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008002-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-01-14 US disclosed
US-10758496-B2 Estrogen receptor ligand treatment for neurodegenerative diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-01 US disclosed
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-26 US disclosed
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-26 US disclosed
EP-2200994-B1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARM INC (US) 2014-01-22 EP disclosed
US-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 US disclosed
US-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 US disclosed
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2012-04-12 US disclosed
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2012-04-12 US disclosed
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 US disclosed
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 US disclosed
WO-2009055734-A1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2009-04-30 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 (5 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-20210008002-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES ESR2, ESRRG, ESR1 HTR2A 589/4885HTR2C 1210/4885HTR2B 730/4885
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA HTR2A 400/4885HTR2C 409/4885HTR2B 453/4885
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES ESR2, ESRRG, ESR1 HTR2A 589/4885HTR2C 1210/4885HTR2B 730/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA HTR2A 400/4885HTR2C 409/4885HTR2B 453/4885
US-10758496-B2 Estrogen receptor ligand treatment for neurodegenerative diseases ESR2, ESRRG, ESR1 HTR2A 589/4885HTR2C 1210/4885HTR2B 730/4885

“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.