SCHEMBL5579059

SCHEMBL5579059

CC(C)C(=O)N1CCC2(CC1)CN(C(Cc1ccccc1)C1=COCO1)c1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.42
HDAC1 Q13547 6/20 0.40
HDAC6 Q9UBN7 6/20 0.40
HDAC8 Q9BY41 2/20 0.39
NPY5R Q15761 1/20 0.37
GHSR Q92847 1/20 0.37

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
SCHEMBL5578558 0.91 TACR1 (0.39) TACR1HDAC1HDAC6HDAC8NPY5R
SCHEMBL5578877 0.87 MEN1 (0.36) TACR1HDAC1HDAC6HDAC8NPY5R
SCHEMBL5578725 0.84 AVPR1A (0.46)
SCHEMBL5578579 0.80 HDAC8 (0.35) TACR1HDAC8
SCHEMBL5578492 0.78 HSD11B1 (0.39) TACR1
SCHEMBL5578574 0.73 HDAC1 (0.51) TACR1HDAC1HDAC6HDAC8NPY5R
SCHEMBL13209389 0.70 HDAC1 (0.47) TACR1HDAC1HDAC6HDAC8NPY5R
SCHEMBL5578911 0.70 HDAC1 (0.49) TACR1HDAC1HDAC6HDAC8NPY5R
SCHEMBL2853081 0.68 CHRM1 (0.41)
SCHEMBL2861866 0.68 MEN1 (0.51)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed
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 TACR1 224/4885HDAC1 885/4885HDAC6 767/4885

“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.