SCHEMBL5578601

SCHEMBL5578601

O=C(c1cccc2ccccc12)N1CCC2(CC1)CN(Cc1cccc3c1OCO3)c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 7/20 0.40
HDAC6 Q9UBN7 7/20 0.40
USP2 O75604 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
FAAH O00519 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
SCN9A Q15858 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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 0.83 HDAC1 (0.48) MEN1KMT2AHDAC1HDAC6HCRTR1
SCHEMBL5578556 0.82 HDAC1 (0.43) MEN1KMT2AHDAC1HDAC6HCRTR1
SCHEMBL5578870 0.81 HCRTR1 (0.43) MEN1KMT2AHDAC1HDAC6HCRTR1
SCHEMBL5582419 0.81 MEN1 (0.46) AVPR1AMEN1KMT2AFAAHALDH1A1
SCHEMBL5578487 0.80 GRIN2B (0.60) AVPR1AMEN1KMT2AHDAC1HDAC6
SCHEMBL5579248 0.76 AVPR1A (0.53) AVPR1AMEN1KMT2AUSP2ALDH1A1
SCHEMBL5578491 0.73 GLRA3 (0.41) MEN1KMT2AHDAC1HDAC6HCRTR1
SCHEMBL5781285 0.70 GRIN2B (0.48) AVPR1AMEN1KMT2AHDAC1HDAC6
SCHEMBL5635671 0.69 EED (0.37) AVPR1AMEN1KMT2AOPRM1OPRL1
SCHEMBL5599820 0.69 SCN9A (0.37) MEN1KMT2AOPRM1OPRL1FAAH

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 AVPR1A 48/4885MEN1 882/4885KMT2A 1940/4885

“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.