SCHEMBL5579009

SCHEMBL5579009

O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)CN(C(=O)c1ccc3c(c1)OCO3)c1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 9/20 0.56
HSD17B10 Q99714 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TSHR P16473 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
GFER P55789 1/20 0.55
LMNA P02545 2/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 1/20 0.47

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
SCHEMBL5578816 0.84 HDAC1 (0.48) HPGDGAAALDH1A1TSHRNPC1
SCHEMBL5578763 0.80 HDAC1 (0.53) KMT2A
SCHEMBL5578836 0.77 SMN1; SMN2 (0.57) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL5579046 0.76 RXFP1 (0.57) ALDH1A1LMNASMN1; SMN2KDM4EKMT2A
SCHEMBL108225 0.76 ALDH1A1 (0.90) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL5578832 0.76 ALDH1A1 (0.59) GAAALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL15963470 0.76 HPGD (0.61) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL4815471 0.74 HPGD (0.66) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL4815481 0.74 HPGD (0.66) HPGDGAAALDH1A1HSD17B10CYP1A2
SCHEMBL5578784 0.74 TSHR (0.42) HPGDGAAALDH1A1HSD17B10CYP1A2

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 7 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
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 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 HPGD 219/4885GAA 2663/4885ALDH1A1 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.