SCHEMBL4892655

SCHEMBL4892655

O=C(c1cccc(Cl)c1Cl)N1CC2(CCN(CCC(F)(F)F)CC2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.41
OPRM1 P35372 4/20 0.38
FFAR1 O14842 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRL1 P41146 2/20 0.35
MCOLN1 Q9GZU1 1/20 0.35
CCR2 P41597 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL4890954 0.93 P2RX7 (0.40) P2RX7OPRM1FFAR1HDAC1HDAC6
SCHEMBL4890619 0.91 NOTUM (0.44) P2RX7HDAC1HDAC6MCOLN1NOTUM
SCHEMBL4888879 0.91 OPRM1 (0.41) OPRM1FFAR1HDAC1HDAC6IDO1
SCHEMBL4888898 0.87 OPRM1 (0.39) OPRM1FFAR1HDAC1HDAC6KMT2A
SCHEMBL4889960 0.84 OPRM1 (0.41) OPRM1FFAR1HDAC1HDAC6IDO1
SCHEMBL4893344 0.84 OPRM1 (0.41) OPRM1FFAR1HDAC1HDAC6OPRL1
SCHEMBL4886704 0.84 NOTUM (0.38) OPRM1FFAR1HDAC1HDAC6OPRL1
SCHEMBL4889940 0.82 NOTUM (0.47) OPRM1HDAC1HDAC6NOTUM
SCHEMBL4890886 0.80 ATM (0.36) OPRM1FFAR1HDAC1HDAC6NOTUM
SCHEMBL4893188 0.80 NOTUM (0.43) P2RX7HDAC1HDAC6NOTUM

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 427/4885OPRM1 343/4885FFAR1 166/4885

“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.