Sugi Predict

Sugi Predict / Compounds / SCHEMBL4891670

SCHEMBL4891670

SCHEMBL4891670

CC(C)(C)c1ccc2c(c1)C1(CCN(CCC(F)(F)F)CC1)CN2C(=O)c1sccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ OPRM1 P35372 3/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4886704 0.86 NOTUM (0.38) NOTUMFFAR1HDAC1HDAC6MDM2
SCHEMBL4890954 0.83 P2RX7 (0.40) NOTUMFFAR1HDAC1HDAC6MDM2
SCHEMBL4893251 0.81 P2RY1 (0.36) NOTUMFFAR1HDAC1HDAC6OPRM1
SCHEMBL4887335 0.81 NOTUM (0.39) NOTUMFFAR1HDAC1HDAC6OPRM1
SCHEMBL4888879 0.79 OPRM1 (0.41) NOTUMFFAR1HDAC1HDAC6OPRM1
Trifluoroacetic Acid SCHEMBL4761896 0.79 OPRM1 (0.36) HDAC1HDAC6OPRM1OPRL1
SCHEMBL4890886 0.79 ATM (0.36) NOTUMFFAR1HDAC1HDAC6OPRM1
SCHEMBL4884450 0.78 HRH4 (0.40) HDAC1HDAC6HTR1A
SCHEMBL4891915 0.78 TACR1 (0.38) HDAC1HDAC6OPRM1
SCHEMBL4892655 0.76 P2RX7 (0.41) NOTUMFFAR1HDAC1HDAC6OPRM1

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 NOTUM 4364/4885FFAR1 166/4885HDAC1 418/4885

“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.