SCHEMBL5580211

SCHEMBL5580211

O=C(c1cccc2ccccc12)N1Cc2ccccc2C2(CCNCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
FNTA P49354 6/20 0.41
FNTB P49356 6/20 0.41
USP2 O75604 1/20 0.40
CCR5 P51681 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL5580165 0.80 SIGMAR1 (0.52) AVPR1AMEN1KMT2A
SCHEMBL653997 0.79 DPP9 (0.50) DPP9DPP7
SCHEMBL7568469 0.78 NOTUM (0.50) ALDH1A1DPP9DPP7
SCHEMBL5578840 0.75 DPP9 (0.44) ALDH1A1DPP9DPP7USP2HTT
SCHEMBL5582460 0.75 GRIN2B (0.63) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL5582419 0.75 MEN1 (0.46) AVPR1AALDH1A1LMNAFNTAFNTB
SCHEMBL3576603 0.73 ALDH1A1 (0.62) AVPR1AALDH1A1LMNAUSP2POLB
SCHEMBL652952 0.72 MAPK1 (0.52) DPP9DPP7
Hydrochloric Acid SCHEMBL1193388 0.72 ALDH1A1 (0.61) AVPR1AALDH1A1LMNAUSP2POLB
Hydrochloric Acid SCHEMBL9035292 0.72 ALDH1A1 (0.61) AVPR1AALDH1A1LMNAUSP2POLB

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 6 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
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
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 48/4885ALDH1A1 634/4885LMNA 471/4885

“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.