SCHEMBL4890619

SCHEMBL4890619

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
P2RX7 Q99572 5/20 0.42
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MCOLN1 Q9GZU1 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DRD2 P14416 3/20 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
SCHEMBL4892655 0.91 P2RX7 (0.41) NOTUMP2RX7MCOLN1HDAC1HDAC6
SCHEMBL4889940 0.91 NOTUM (0.47) NOTUMHDAC1HDAC6DRD2
SCHEMBL4890954 0.90 P2RX7 (0.40) NOTUMP2RX7CNR1CNR2MCOLN1
SCHEMBL4893188 0.88 NOTUM (0.43) NOTUMP2RX7HDAC1HDAC6DRD2
SCHEMBL4884630 0.86 NOTUM (0.47) NOTUMHDAC1HDAC6DRD2
SCHEMBL4761920 0.85 NOTUM (0.46) NOTUMHDAC1HDAC6
SCHEMBL4888879 0.81 OPRM1 (0.41) NOTUMHDAC1HDAC6
SCHEMBL4886704 0.80 NOTUM (0.38) NOTUMHDAC1HDAC6
SCHEMBL4888898 0.78 OPRM1 (0.39) HDAC1HDAC6DRD2
SCHEMBL5578732 0.76 DRD2 (0.48) NOTUMP2RX7DRD2

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 4364/4885P2RX7 427/4885CNR1 7/4885

“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.