SCHEMBL17980296

SCHEMBL17980296

C[C@]1([C@@H]2CCCN2)OCc2cc(F)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 3/20 0.33
SLC6A2 P23975 2/20 0.33
ADRA1A P35348 2/20 0.33
HRH1 P35367 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP2D6 P10635 2/20 0.33
HTR2A P28223 2/20 0.33
NPC1 O15118 1/20 0.33
SLC22A1 O15245 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
ACHE P22303 1/20 0.33
HRH2 P25021 1/20 0.33

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
SCHEMBL17980015 1.00 SLC6A4 (0.33) SLC6A4HTR2CHTR2BSLC6A2ADRA1A
SCHEMBL17980034 1.00 SLC6A4 (0.33) SLC6A4HTR2CHTR2BSLC6A2ADRA1A
SCHEMBL17980027 1.00 SLC6A4 (0.33) SLC6A4HTR2CHTR2BSLC6A2ADRA1A
SCHEMBL17980071 1.00 SLC6A4 (0.33) SLC6A4HTR2CHTR2BSLC6A2ADRA1A
SCHEMBL17980202 1.00 SLC6A4 (0.33) SLC6A4HTR2CHTR2BSLC6A2ADRA1A
SCHEMBL18022626 0.87 SRD5A1 (0.36) SLC6A4HTR2CHTR2BSLC6A2HTR2A
SCHEMBL24508255 0.81 SLC6A4 (0.35) SLC6A4CYP2D6SLC6A3TACR1KDM1A
SCHEMBL20030625 0.73 SRD5A1 (0.32) SLC6A4HTR2CHTR2BHTR2ASLC6A3
SCHEMBL17193999 0.70 PGR (0.44) SLC6A4HTR2CHTR2BSLC6A2ADRA1A
SCHEMBL21119087 0.69 AKR1B1 (0.32) HTR2CHTR2BHTR2ACYP3A4SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925360-B 1-heterocyclylisochromanyl compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2024-03-22 CN disclosed
EP-4046995-B1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2023-09-13 EP disclosed
US-20220185799-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2022-06-16 US disclosed
US-11192885-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-12-07 US disclosed
CN-111925360-A 1-heterocyclyl isochroman compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2020-11-13 CN disclosed
CN-107531674-B 1-heterocyclyl isochroman compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2020-07-31 CN disclosed
US-10336732-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2019-07-02 US disclosed
US-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-04-05 US disclosed
US-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-04-05 US disclosed
US-9856238-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2018-01-02 US disclosed
EP-3256466-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS Sunovion Pharmaceuticals Inc. (US) 2017-12-20 EP disclosed
US-20170001987-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 US disclosed
US-20170001987-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 US disclosed
WO-2016130796-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2016-08-18 WO disclosed
WO-2016130796-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2016-08-18 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-20170001987-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 SLC6A4 410/4885HTR2C 55/4885HTR2B 130/4885
US-11192885-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders CNR1, HCRTR1, CNR2 SLC6A4 410/4885HTR2C 55/4885HTR2B 130/4885
US-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 SLC6A4 410/4885HTR2C 55/4885HTR2B 130/4885
US-20220185799-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 SLC6A4 410/4885HTR2C 55/4885HTR2B 130/4885
US-10336732-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders CNR1, HCRTR1, CNR2 SLC6A4 410/4885HTR2C 55/4885HTR2B 130/4885

“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.