SCHEMBL4759951

SCHEMBL4759951

CCCN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1ccc(C)cc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD2 P14416 3/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
NOTUM Q6P988 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RORC P51449 1/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4890976 0.90 DRD2 (0.39) SLC18A3SIGMAR1DRD2DRD4DRD3
SCHEMBL5578467 0.89 SIGMAR1 (0.38) SLC18A3SIGMAR1DRD2DRD4DRD3
SCHEMBL4761770 0.88 EPHX2 (0.43) DRD2FFAR1LMNATSHR
SCHEMBL4761716 0.87 OPRK1 (0.40) SLC18A3SIGMAR1DRD2NOTUMHDAC1
SCHEMBL4890372 0.87 P2RY1 (0.37) SLC18A3SIGMAR1DRD2NOTUMHDAC1
SCHEMBL5579031 0.85 OPRM1 (0.47) SIGMAR1
Trifluoroacetic Acid SCHEMBL4762245 0.83 P2RY1 (0.37) SLC18A3SIGMAR1DRD2HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL4881007 0.82 OPRK1 (0.37) SLC18A3SIGMAR1DRD2HDAC1HDAC6
SCHEMBL5578757 0.81 SIGMAR1 (0.38) SLC18A3SIGMAR1DRD2DRD4DRD3
SCHEMBL5579025 0.80 NOTUM (0.47) SLC18A3SIGMAR1DRD2NOTUMHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel ARENA PHARMACEUTICALS, INC. 2008-08-21 US claimed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US claimed
US-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel ARENA PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel ARENA PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel ARENA PHARMACEUTICALS, INC. 2008-08-21 US disclosed
EP-1899339-A1 1,2-DIHYDRO-SPIRO(3H-INDOLE-3-4 -PIPERIDINE) COMPOUNDS AS MODULATORS OF THE MAS RECEPTOR NOVEL Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO disclosed
WO-2007002114-A1 1,2-DIHYDRO-SPIRO(3H-INDOLE-3-4’-PIPERIDINE) COMPOUNDS AS MODULATORS OF THE MAS RECEPTOR NOVEL ARENA PHARMACEUTICALS, INC. (US) 2007-01-04 WO disclosed
WO-2007002114-A1 1,2-DIHYDRO-SPIRO(3H-INDOLE-3-4’-PIPERIDINE) COMPOUNDS AS MODULATORS OF THE MAS RECEPTOR NOVEL ARENA PHARMACEUTICALS, INC. (US) 2007-01-04 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 (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-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel AGTR1, AGTR2, AVPR2 SLC18A3 815/4885SIGMAR1 452/4885DRD2 138/4885
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL SLC18A3 2869/4885SIGMAR1 444/4885DRD2 126/4885

“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.