Sugi Predict

Sugi Predict / Compounds / SCHEMBL4891915

SCHEMBL4891915

SCHEMBL4891915

CC(C)(C)c1ccc2c(c1)C1(CCN(CCC(F)(F)F)CC1)CN2C(=O)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ SLC18A3 Q16572 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ AVPR1A P37288 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ CCR2 P41597 1/20 0.34

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
SCHEMBL4890886 0.87 ATM (0.36) SLC18A3SIGMAR1HDAC1HDAC6OPRM1
SCHEMBL4890954 0.86 P2RX7 (0.40) CNR2HDAC1HDAC6OPRM1DRD4
SCHEMBL4893251 0.85 P2RY1 (0.36) SLC18A3SIGMAR1HDAC1HDAC6OPRM1
SCHEMBL4887335 0.84 NOTUM (0.39) SLC18A3SIGMAR1HDAC1HDAC6OPRM1
SCHEMBL4886704 0.84 NOTUM (0.38) TACR1HDAC1HDAC6OPRM1P2RY1
SCHEMBL4884450 0.83 HRH4 (0.40) HRH3HDAC1HDAC6DRD4
Trifluoroacetic Acid SCHEMBL4761896 0.82 OPRM1 (0.36) TACR1SLC18A3SIGMAR1HDAC1HDAC6
SCHEMBL4888898 0.80 OPRM1 (0.39) SIGMAR1HDAC1HDAC6MEN1KMT2A
SCHEMBL4892655 0.79 P2RX7 (0.41) HDAC1HDAC6KMT2AOPRM1CCR2
SCHEMBL4891670 0.78 NOTUM (0.35) HDAC1HDAC6OPRM1

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 TACR1 14/4885HRH3 434/4885CNR2 31/4885

“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.