Sugi Predict

Sugi Predict / Compounds / SCHEMBL4884659

SCHEMBL4884659

SCHEMBL4884659

N#Cc1ccc2c(c1)C1(CCN(CCC(F)(F)F)CC1)CN2C(=O)c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.40
▸ USP2 O75604 5/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SLC18A3 Q16572 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL4893344 0.86 OPRM1 (0.41) EPHX2CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL4884630 0.86 NOTUM (0.47) EPHX2HDAC1HDAC6
SCHEMBL4881930 0.84 RORC (0.45) PDE4BHDAC1HDAC6SLC18A3SIGMAR1
SCHEMBL4893251 0.84 P2RY1 (0.36) EPHX2HDAC1HDAC6SLC18A3SIGMAR1
SCHEMBL4886630 0.84 SLC18A3 (0.35) EPHX2CYP2D6HDAC1HDAC6SLC18A3
SCHEMBL4891097 0.83 RORC (0.40) EPHX2MAPK1
SCHEMBL4888659 0.83 DRD2 (0.36) KCNH2SLC18A3SIGMAR1
Trifluoroacetic Acid SCHEMBL4761896 0.81 OPRM1 (0.36) EPHX2HDAC1HDAC6SLC18A3SIGMAR1
Trifluoroacetic Acid SCHEMBL4761761 0.81 S1PR1 (0.34) EPHX2CYP2D6HDAC1HDAC6SLC18A3
SCHEMBL4893188 0.78 NOTUM (0.43) HPGDHDAC1HDAC6

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 EPHX2 2484/4885USP2 3906/4885CYP3A4 2514/4885

“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.