SCHEMBL4886630

SCHEMBL4886630

CC(C)c1ccc2c(c1)C1(CCN(CCC(F)(F)F)CC1)CN2C(=O)c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
OPRK1 P41145 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
OPRD1 P41143 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NOTUM Q6P988 1/20 0.33
RORC P51449 1/20 0.33
FFAR1 O14842 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 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
Trifluoroacetic Acid SCHEMBL4761761 0.97 S1PR1 (0.34) SLC18A3SIGMAR1EGLN1S1PR1S1PR3
SCHEMBL4761716 0.91 OPRK1 (0.40) SLC18A3SIGMAR1S1PR1S1PR3S1PR5
Trifluoroacetic Acid SCHEMBL4881007 0.89 OPRK1 (0.37) SLC18A3SIGMAR1EGLN1S1PR1S1PR3
SCHEMBL4760782 0.87 HDAC1 (0.33) EGLN1OPRK1OPRM1OPRL1OPRD1
SCHEMBL5578567 0.86 SIGMAR1 (0.36) SLC18A3SIGMAR1S1PR1S1PR3S1PR5
SCHEMBL4893251 0.86 P2RY1 (0.36) SLC18A3SIGMAR1OPRM1OPRL1HDAC1
SCHEMBL4893344 0.86 OPRM1 (0.41) SIGMAR1OPRM1OPRL1HDAC1HDAC6
SCHEMBL4884630 0.86 NOTUM (0.47) OPRM1HDAC1HDAC6NOTUMRORC
SCHEMBL4888659 0.85 DRD2 (0.36) SLC18A3SIGMAR1RORC
SCHEMBL5578516 0.84 SIGMAR1 (0.34) SIGMAR1OPRK1OPRM1OPRL1OPRD1

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 4 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

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 SLC18A3 815/4885SIGMAR1 452/4885EGLN1 1069/4885

“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.