SCHEMBL5578487

SCHEMBL5578487

Cc1ccc(CN2CC3(CCN(C(=O)c4cccc5ccccc45)CC3)c3ccccc32)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.60
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
AVPR1A P37288 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
USP2 O75604 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL5781285 0.88 GRIN2B (0.48) GRIN2BMEN1KMT2AAVPR1AHDAC1
SCHEMBL5578503 0.83 HDAC1 (0.50) GRIN2BHDAC1HDAC6HDAC8TACR1
SCHEMBL5578589 0.81 HDAC1 (0.46) GRIN2BHDAC1HDAC6HDAC8TACR1
SCHEMBL5582460 0.81 GRIN2B (0.63) GRIN2BMEN1KMT2AKDM4EALDH1A1
SCHEMBL5578601 0.80 AVPR1A (0.43) MEN1KMT2AAVPR1AHDAC1HDAC6
SCHEMBL5578454 0.79 HDAC1 (0.44) GRIN2BMEN1KMT2AHDAC1HDAC6
SCHEMBL5579248 0.76 AVPR1A (0.53) MEN1KMT2AAVPR1AUSP2KDM4E
SCHEMBL5578796 0.71 SMN1; SMN2 (0.43) HDAC1HDAC6USP2ALDH1A1LMNA
SCHEMBL5579422 0.70 AVPR1A (0.51) MEN1KMT2AAVPR1AUSP2PTGDR
SCHEMBL5635880 0.69 GRIN2B (0.44) GRIN2BMEN1KMT2AAVPR1AKDM4E

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 GRIN2B 555/4885MEN1 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.