SCHEMBL19821160

SCHEMBL19821160

CN(C[C@@H]1OCCc2c(Cl)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.34
SLC6A4 P31645 1/20 0.34
DRD1 P21728 4/20 0.33
ACHE P22303 4/20 0.33
BCHE P06276 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PTGDR Q13258 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MAPT P10636 1/20 0.32
FFAR1 O14842 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
REN P00797 1/20 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
SCHEMBL30029677 1.00 HTR2C (0.34) HTR2CSLC6A4DRD1ACHEBCHE
SCHEMBL19821161 1.00 HTR2C (0.34) HTR2CSLC6A4DRD1ACHEBCHE
SCHEMBL30030579 1.00 HTR2C (0.34) HTR2CSLC6A4DRD1ACHEBCHE
SCHEMBL30030424 1.00 HTR2C (0.34) HTR2CSLC6A4DRD1ACHEBCHE
SCHEMBL19821159 1.00 HTR2C (0.34) HTR2CSLC6A4DRD1ACHEBCHE
SCHEMBL32670578 0.89 ADRA2A (0.41) HTR2CSLC6A4DRD1ACHEBCHE
SCHEMBL19812824 0.89 ADRA2A (0.41) HTR2CSLC6A4DRD1ACHEBCHE
SCHEMBL32670709 0.89 ADRA2A (0.41) HTR2CSLC6A4DRD1ACHEBCHE
SCHEMBL29981118 0.87 UCHL1 (0.35) HTR2CSLC6A4DRD1ACHEPTGDR
SCHEMBL19821177 0.87 UCHL1 (0.35) HTR2CSLC6A4DRD1ACHEPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927124-B2 Compounds and compositions and uses thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-02-23 US disclosed
US-20190308990-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. 2019-10-10 US disclosed
US-10196403-B2 Compounds and compositions and uses thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-20180030064-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUMITOMO PHARMA AMERICA, INC. 2018-02-01 US disclosed
WO-2018023072-A2 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-01 WO disclosed
US-20180030064-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUMITOMO PHARMA AMERICA, INC. 2018-02-01 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-10196403-B2 Compounds and compositions and uses thereof CHAT, ACHE, MAOB HTR2C 190/4885SLC6A4 204/4885DRD1 792/4885
US-10927124-B2 Compounds and compositions and uses thereof CHAT, ACHE, MAOB HTR2C 190/4885SLC6A4 204/4885DRD1 792/4885
US-20180030064-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF CHAT, ACHE, MAOB HTR2C 190/4885SLC6A4 204/4885DRD1 792/4885
US-20190308990-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF CHAT, ACHE, MAOB HTR2C 190/4885SLC6A4 204/4885DRD1 792/4885

“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.