SCHEMBL4887335

SCHEMBL4887335

CC(C)(C)c1ccc2c(c1)C1(CCN(CCC(F)(F)F)CC1)CN2C(=O)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
P2RY1 P47900 5/20 0.36
OPRM1 P35372 6/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FFAR1 O14842 1/20 0.35
OPRL1 P41146 4/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 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
SCHEMBL4889960 0.94 OPRM1 (0.41) NOTUMOPRM1HDAC1HDAC6FFAR1
SCHEMBL4893251 0.90 P2RY1 (0.36) NOTUMP2RY1OPRM1HDAC1HDAC6
SCHEMBL4886704 0.89 NOTUM (0.38) NOTUMP2RY1OPRM1HDAC1HDAC6
SCHEMBL4761920 0.87 NOTUM (0.46) NOTUMOPRM1HDAC1HDAC6OPRL1
Trifluoroacetic Acid SCHEMBL4761896 0.87 OPRM1 (0.36) P2RY1OPRM1HDAC1HDAC6OPRL1
SCHEMBL4890886 0.85 ATM (0.36) NOTUMP2RY1OPRM1HDAC1HDAC6
SCHEMBL4891915 0.84 TACR1 (0.38) P2RY1OPRM1HDAC1HDAC6SLC18A3
SCHEMBL4890954 0.84 P2RX7 (0.40) NOTUMOPRM1HDAC1HDAC6FFAR1
SCHEMBL4893344 0.84 OPRM1 (0.41) OPRM1HDAC1HDAC6FFAR1OPRL1
SCHEMBL4888879 0.83 OPRM1 (0.41) NOTUMOPRM1HDAC1HDAC6FFAR1

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 4364/4885P2RY1 205/4885OPRM1 343/4885

“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.