SCHEMBL5578556

SCHEMBL5578556

O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)CN(Cc1cccc3c1OCO3)c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.43
HDAC6 Q9UBN7 11/20 0.43
HDAC8 Q9BY41 5/20 0.42
FAAH O00519 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TACR1 P25103 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5579057 0.91 HDAC1 (0.48) HDAC1HDAC6HDAC8FAAHOPRM1
SCHEMBL5578870 0.83 HCRTR1 (0.43) HDAC1HDAC6HDAC8FAAHOPRM1
SCHEMBL5578601 0.82 AVPR1A (0.43) HDAC1HDAC6HDAC8FAAHOPRM1
SCHEMBL5578589 0.78 HDAC1 (0.46) HDAC1HDAC6HDAC8TACR1
SCHEMBL5578491 0.76 GLRA3 (0.41) HDAC1HDAC6OPRM1OPRL1SMN1; SMN2
SCHEMBL5578553 0.76 HDAC1 (0.49) HDAC1HDAC6HDAC8OPRM1TACR1
SCHEMBL5578859 0.75 HDAC1 (0.46) HDAC1HDAC6HDAC8ALDH1A1TACR1
SCHEMBL5578577 0.72 SMN1; SMN2 (0.48) FAAHOPRM1OPRL1SMN1; SMN2HCRTR1
SCHEMBL5578503 0.68 HDAC1 (0.50) HDAC1HDAC6HDAC8NPSR1TACR1
SCHEMBL5578558 0.68 TACR1 (0.39) HDAC1HDAC6HDAC8TACR1

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
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US 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 767/4885HDAC8 2130/4885

“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.