Sugi Predict

Sugi Predict / Compounds / SCHEMBL4890954

SCHEMBL4890954

SCHEMBL4890954

CC(C)(C)c1ccc2c(c1)C1(CCN(CCC(F)(F)F)CC1)CN2C(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.40
▸ MCOLN1 Q9GZU1 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 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
SCHEMBL4892655 0.93 P2RX7 (0.41) P2RX7MCOLN1NOTUMHDAC1HDAC6
SCHEMBL4886704 0.91 NOTUM (0.38) NOTUMHDAC1HDAC6OPRM1KCNH2
SCHEMBL4890619 0.90 NOTUM (0.44) P2RX7MCOLN1NOTUMHDAC1HDAC6
SCHEMBL4890886 0.87 ATM (0.36) NOTUMHDAC1HDAC6OPRM1DRD2
SCHEMBL4891915 0.86 TACR1 (0.38) HDAC1HDAC6OPRM1DRD4CNR1
SCHEMBL4893251 0.85 P2RY1 (0.36) NOTUMHDAC1HDAC6OPRM1FFAR1
SCHEMBL4887335 0.84 NOTUM (0.39) NOTUMHDAC1HDAC6OPRM1FFAR1
SCHEMBL4888879 0.84 OPRM1 (0.41) NOTUMHDAC1HDAC6OPRM1FFAR1
SCHEMBL4891670 0.83 NOTUM (0.35) NOTUMHDAC1HDAC6OPRM1KCNH2
Trifluoroacetic Acid SCHEMBL4761896 0.82 OPRM1 (0.36) 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 P2RX7 427/4885MCOLN1 1903/4885NOTUM 4364/4885

“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.