SCHEMBL5578837

SCHEMBL5578837

O=C(c1ccccc1Cl)N1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TP53 P04637 1/20 0.43
AKT1 P31749 2/20 0.43
CYP2D6 P10635 1/20 0.40
P2RY1 P47900 1/20 0.39
ENPP2 Q13822 2/20 0.39

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
SCHEMBL14366457 0.82 HDAC1 (0.57) NOTUMROCK2ROCK1HDAC1HDAC6
SCHEMBL5578644 0.80 HDAC1 (0.49) NOTUMHDAC1HDAC6TP53
SCHEMBL1572534 0.80 NOTUM (0.63) NOTUMROCK2ROCK1HDAC1HDAC6
SCHEMBL30232786 0.80 NOTUM (0.63) NOTUMROCK2ROCK1HDAC1HDAC6
SCHEMBL655024 0.79 NOTUM (0.80) NOTUMROCK2ROCK1HDAC1HDAC6
SCHEMBL5578489 0.78 HDAC1 (0.48) NOTUMHDAC1HDAC6TP53
SCHEMBL5579103 0.78 HDAC1 (0.48) NOTUMHDAC1HDAC6CYP2D6
SCHEMBL5138464 0.78 AVPR1A (0.54) NOTUMROCK2ROCK1CYP2D6
SCHEMBL5578789 0.78 HDAC1 (0.52) NOTUMHDAC1HDAC6
Hydrochloric Acid SCHEMBL2257588 0.78 NOTUM (0.78) NOTUMROCK2ROCK1HDAC1HDAC6

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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US claimed
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 NOTUM 3318/4885RXFP1 130/4885ROCK2 623/4885

“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.