SCHEMBL4890886

SCHEMBL4890886

CC(C)(C)c1ccc2c(c1)C1(CCN(CCC(F)(F)F)CC1)CN2C(=O)c1cccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
P2RY1 P47900 4/20 0.36
DRD2 P14416 1/20 0.35
HPGD P15428 1/20 0.34
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
OPRM1 P35372 1/20 0.33
FFAR1 O14842 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL4888898 0.93 OPRM1 (0.39) ATMDRD2HPGDSIGMAR1HDAC1
SCHEMBL4893251 0.91 P2RY1 (0.36) P2RY1SLC18A3SIGMAR1HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL4761896 0.88 OPRM1 (0.36) P2RY1SLC18A3SIGMAR1HDAC1HDAC6
SCHEMBL4893188 0.88 NOTUM (0.43) ATMDRD2HPGDHDAC1HDAC6
SCHEMBL4890954 0.87 P2RX7 (0.40) DRD2HPGDHDAC1HDAC6OPRM1
SCHEMBL4891915 0.87 TACR1 (0.38) P2RY1SLC18A3SIGMAR1HDAC1HDAC6
SCHEMBL4886704 0.85 NOTUM (0.38) P2RY1HDAC1HDAC6OPRM1FFAR1
SCHEMBL4887335 0.85 NOTUM (0.39) P2RY1SLC18A3SIGMAR1HDAC1HDAC6
SCHEMBL4893344 0.84 OPRM1 (0.41) SIGMAR1HDAC1HDAC6OPRM1FFAR1
SCHEMBL4890372 0.83 P2RY1 (0.37) P2RY1DRD2SLC18A3SIGMAR1HDAC1

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 ATM 2574/4885P2RY1 205/4885DRD2 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.