SCHEMBL4881930

SCHEMBL4881930

NC(=O)c1ccc2c(c1)C1(CCN(CCC(F)(F)F)CC1)CN2C(=O)c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.45
RORA P35398 1/20 0.39
RORB Q92753 1/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL4884630 0.87 NOTUM (0.47) RORCHDAC1HDAC6
SCHEMBL4893344 0.87 OPRM1 (0.41) SIGMAR1HDAC1HDAC6
SCHEMBL4891097 0.85 RORC (0.40) RORC
SCHEMBL4893251 0.85 P2RY1 (0.36) RORCSLC18A3SIGMAR1HDAC1HDAC6
SCHEMBL4884659 0.84 EPHX2 (0.40) SLC18A3SIGMAR1HDAC1HDAC6PDE4B
SCHEMBL4886630 0.84 SLC18A3 (0.35) RORCSLC18A3SIGMAR1HDAC1HDAC6
SCHEMBL4888659 0.84 DRD2 (0.36) RORCSLC18A3SIGMAR1
Trifluoroacetic Acid SCHEMBL4761896 0.82 OPRM1 (0.36) SLC18A3SIGMAR1HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL4761761 0.81 S1PR1 (0.34) SLC18A3SIGMAR1HDAC1HDAC6
SCHEMBL4893188 0.78 NOTUM (0.43) HDAC1HDAC6

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 5 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-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
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 (1 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 RORC 1081/4885RORA 781/4885RORB 838/4885

“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.