SCHEMBL5579248

SCHEMBL5579248

O=C(c1cccc2ccccc12)N1CCC2(CC1)CN(C(=O)c1cccc3ccccc13)c1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.53
USP2 O75604 1/20 0.52
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
NOTUM Q6P988 2/20 0.48
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
CCR5 P51681 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.43
HIF1A Q16665 1/20 0.43
TACR1 P25103 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TGM2 P21980 1/20 0.42

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
SCHEMBL5579550 0.84 HDAC1 (0.44) AVPR1AUSP2NOTUMMEN1KMT2A
SCHEMBL5578977 0.83 NOTUM (0.50) USP2ALDH1A1LMNANOTUMPOLB
SCHEMBL5579336 0.83 DRD4 (0.50) AVPR1A
SCHEMBL5578615 0.80 HTT (0.55) ALDH1A1NOTUMPOLBHTTKDM4E
SCHEMBL5578487 0.76 GRIN2B (0.60) AVPR1AUSP2ALDH1A1LMNAMEN1
SCHEMBL4453090 0.76 ALDH1A1 (0.77) AVPR1AUSP2ALDH1A1LMNAPOLB
SCHEMBL5578601 0.76 AVPR1A (0.43) AVPR1AUSP2ALDH1A1LMNAMEN1
SCHEMBL6430908 0.73 ALDH1A1 (0.68) AVPR1AUSP2ALDH1A1LMNAPOLB
SCHEMBL5579955 0.73 KDM2B (0.43) ALDH1A1KDM4E
SCHEMBL27299335 0.72 AVPR1A (0.67) AVPR1AUSP2ALDH1A1LMNAPOLB

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 48/4885USP2 4648/4885ALDH1A1 634/4885

“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.