SCHEMBL5579102

SCHEMBL5579102

C=C(C)CN1CCC2(CC1)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
NPY5R Q15761 5/20 0.43
NOTUM Q6P988 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
P2RY1 P47900 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5578994 0.86 MAPT (0.48) NPY5RNOTUMALDH1A1P2RY1GAA
SCHEMBL5578971 0.84 SIGMAR1 (0.48) NPY5RHTTMEN1KMT2AALDH1A1
SCHEMBL5579351 0.80 NOTUM (0.50) NPY5RNOTUMROCK2ROCK1
SCHEMBL5578839 0.74 NOTUM (0.52) NPY5RNOTUM
SCHEMBL5578723 0.73 MEN1 (0.42) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL6217451 0.73 NPY5R (0.75) NPY5R
SCHEMBL10253595 0.73 HDAC1 (0.51) LMNANOTUMHTTALDH1A1
SCHEMBL5578527 0.73 NOTUM (0.50) NOTUM
SCHEMBL5578448 0.72 NOTUM (0.48) NPY5RNOTUMHTTKMT2A
SCHEMBL6219454 0.71 NPY5R (0.73) NPY5R

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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL LMNA 471/4885NPY5R 375/4885NOTUM 3318/4885

“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.