Sugi Predict

Sugi Predict / Compounds / SCHEMBL4884450

SCHEMBL4884450

SCHEMBL4884450

CC(C)(C)c1ccc2c(c1)C1(CCN(CCC(F)(F)F)CC1)CN2C(=O)c1cc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ DRD2 P14416 9/20 0.38
▸ DRD3 P35462 9/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ DRD4 P21917 4/20 0.36
▸ PLD2 O14939 1/20 0.36
▸ PLD1 Q13393 1/20 0.36
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35

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
SCHEMBL4887335 0.83 NOTUM (0.39) HDAC1HDAC6
SCHEMBL4893251 0.82 P2RY1 (0.36) HDAC1HDAC6
SCHEMBL4886704 0.81 NOTUM (0.38) HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL4761896 0.79 OPRM1 (0.36) HDAC1HDAC6
SCHEMBL4891670 0.78 NOTUM (0.35) HTR1AHDAC1HDAC6
SCHEMBL4890954 0.78 P2RX7 (0.40) DRD2DRD3HTR2ADRD4SLC6A4
SCHEMBL4889960 0.76 OPRM1 (0.41) CYP2D6HDAC1HDAC6
SCHEMBL4893344 0.75 OPRM1 (0.41) CYP2D6HDAC1HDAC6
SCHEMBL4888879 0.74 OPRM1 (0.41) HDAC1HDAC6
SCHEMBL4890372 0.73 P2RY1 (0.37) DRD2HDAC1HDAC6

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 HRH4 383/4885ACKR3 209/4885DRD2 138/4885

“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.