SCHEMBL1735559

SCHEMBL1735559

O=C(O)[C@@H]1CCc2cc(F)ccc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
KCNE1 P15382 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CNR1 P21554 1/20 0.50
SLC6A2 P23975 1/20 0.50
NPY1R P25929 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
AVPR2 P30518 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50

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
SCHEMBL1737016 1.00 MLNR (0.50) MLNRADRB2ADRB1HTR1AADRA2A
SCHEMBL29395058 1.00 MLNR (0.50) MLNRADRB2ADRB1HTR1AADRA2A
SCHEMBL30585650 1.00 MLNR (0.50) MLNRADRB2ADRB1HTR1AADRA2A
SCHEMBL13925775 1.00 MLNR (0.50) MLNRADRB2ADRB1HTR1AADRA2A
SCHEMBL908153 1.00 MLNR (0.50) MLNRADRB2ADRB1HTR1AADRA2A
Hydrochloric Acid SCHEMBL3905269 0.98 MLNR (0.49) MLNRADRB2ADRB1HTR1AADRA2A
SCHEMBL26413056 0.88 MLNR (0.50) MLNRADRB2ADRB1HTR1AADRA2A
SCHEMBL5504949 0.86 HPGD (0.41) MLNRADRB2ADRB1HTR1AADRA2A
SCHEMBL13766519 0.86 MLNR (0.49) MLNRADRB2ADRB1HTR1AADRA2A
SCHEMBL3905266 0.86 DRD2 (0.49) MLNRADRB2ADRB1HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114214261-B Escherichia coli genetically engineered bacterium for expressing esterase EstS and application thereof 华东理工大学 2024-04-09 CN claimed
CN-114150036-B Continuous biphasic batch resolution process for preparing optically pure 6-fluoro-chroman-2-carboxylic acid 华东理工大学 2024-01-09 CN claimed
CN-114214261-A Escherichia coli genetic engineering bacterium for expressing esterase EstS and application thereof 华东理工大学 2022-03-22 CN claimed
CN-114150036-A Continuous two-phase batch resolution process for preparing optically pure 6-fluoro-chroman-2-carboxylic acid 华东理工大学 2022-03-08 CN claimed
CN-101020681-A Synthesis process of 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol UNIV ZHEJIANG (CN) 2007-08-22 CN claimed
CN-1974565-A Process of racemizing 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-formic acid UNIV ZHEJIANG (CN) 2007-06-06 CN claimed
EP-3704090-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2026-05-27 EP disclosed
CN-114214261-B Escherichia coli genetically engineered bacterium for expressing esterase EstS and application thereof 华东理工大学 2024-04-09 CN disclosed
CN-114214261-B Escherichia coli genetically engineered bacterium for expressing esterase EstS and application thereof 华东理工大学 2024-04-09 CN disclosed
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-01-18 US disclosed
CN-114150036-B Continuous biphasic batch resolution process for preparing optically pure 6-fluoro-chroman-2-carboxylic acid 华东理工大学 2024-01-09 CN disclosed
CN-114150036-B Continuous biphasic batch resolution process for preparing optically pure 6-fluoro-chroman-2-carboxylic acid 华东理工大学 2024-01-09 CN disclosed
US-20240000792-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2024-01-04 US disclosed
US-20070149612-A1 Process for preparation of racemic Nebivolol ACINO PHARMA AG (CH) 2007-06-28 US disclosed
CN-1974565-A Process of racemizing 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-formic acid UNIV ZHEJIANG (CN) 2007-06-06 CN disclosed
CN-1974565-A Process of racemizing 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-formic acid UNIV ZHEJIANG (CN) 2007-06-06 CN disclosed
WO-2004041805-A1 NEW PROCESS FOR THE PREPARATION OF RACEMIC ([2S[2R*[R[R*]]]] and ([2R[2S*[S[S*]]]]-(±)- α,α' -[imino-bis(methylene)]bis[6-fluoro­chroman-2-methanol] AND ITS PURE [2S[2R*[R[R*]& EGIS Gyógyszergyár Rt. (HU) 2004-05-21 WO disclosed
US-6545040-B1 Method of lowering the blood pressure JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-08 US disclosed
EP-0334429-B1 AGENTS FOR LOWERING THE BLOOD PRESSURE JANSSEN PHARMACEUTICA N.V. (BE) 1992-11-19 EP disclosed
EP-0334429-A1 Agents for lowering the blood pressure JANSSEN PHARMACEUTICA N.V. (BE) 1989-09-27 EP 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-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 MLNR 3530/4885ADRB2 876/4885ADRB1 661/4885
US-20070149612-A1 Process for preparation of racemic Nebivolol ADRB1, ADRB2, ADRA2B MLNR 452/4885ADRB2 2/4885ADRB1 1/4885
US-20240000792-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 MLNR 3530/4885ADRB2 876/4885ADRB1 661/4885

“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.