SCHEMBL14366457

SCHEMBL14366457

O=C(c1ccccc1)N1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
NOTUM Q6P988 3/20 0.55
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
HTT P42858 1/20 0.45
AKT1 P31749 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
P2RY1 P47900 1/20 0.41

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
SCHEMBL30232786 0.87 NOTUM (0.63) HDAC1HDAC6NOTUMROCK2ROCK1
SCHEMBL1572534 0.87 NOTUM (0.63) HDAC1HDAC6NOTUMROCK2ROCK1
SCHEMBL1689982 0.85 HDAC1 (0.48) HDAC1HDAC6NOTUMROCK2ROCK1
SCHEMBL655024 0.83 NOTUM (0.80) HDAC1HDAC6NOTUMROCK2ROCK1
Hydrochloric Acid SCHEMBL2257588 0.82 NOTUM (0.78) HDAC1HDAC6NOTUMROCK2ROCK1
SCHEMBL5578837 0.82 NOTUM (0.50) HDAC1HDAC6NOTUMROCK2ROCK1
SCHEMBL10253494 0.81 NOTUM (0.44) HDAC1HDAC6NOTUMROCK2ROCK1
SCHEMBL5599645 0.80 NOTUM (0.51) HDAC1HDAC6NOTUMROCK2ROCK1
SCHEMBL6544407 0.80 NOTUM (0.57) HDAC1HDAC6NOTUMROCK2ROCK1
SCHEMBL6543796 0.80 NOTUM (0.54) HDAC1HDAC6NOTUMROCK2ROCK1

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 3 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
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 HDAC1 885/4885HDAC6 767/4885NOTUM 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.