SCHEMBL18353813

SCHEMBL18353813

CCCc1cc(F)ccc1C(O)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ APP P05067 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PSEN1 P49768 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
SCHEMBL17979924 0.92 GPR119 (0.41) GPR119ALDH1A1DPP4HTR2AHTR2C
SCHEMBL24080179 0.92 GPR119 (0.41) GPR119ALDH1A1DPP4HTR2AHTR2C
SCHEMBL28897864 0.92 GPR119 (0.41) GPR119ALDH1A1DPP4HTR2AHTR2C
SCHEMBL17979997 0.90 GPR119 (0.42) GPR119ALDH1A1DPP4HTR2AHTR2C
SCHEMBL17980030 0.90 GPR119 (0.42) GPR119ALDH1A1DPP4HTR2AHTR2C
SCHEMBL21081110 0.87 APP (0.41) GPR119ALDH1A1HTR2AHTR2CAPP
SCHEMBL29565223 0.87 APP (0.41) GPR119ALDH1A1HTR2AHTR2CAPP
SCHEMBL17980283 0.87 APP (0.41) GPR119ALDH1A1HTR2AHTR2CAPP
SCHEMBL17980284 0.87 APP (0.41) GPR119ALDH1A1HTR2AHTR2CAPP
SCHEMBL24080187 0.86 GPR119 (0.37) GPR119ALDH1A1HTR2AHTR2CAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20170001987-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 — — 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 (2 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 GPR119 359/4885ALDH1A1 418/4885DPP4 4739/4885
US-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 GPR119 359/4885ALDH1A1 418/4885DPP4 4739/4885

“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.

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