SCHEMBL5578876

SCHEMBL5578876

O=C(C1CCC1)N1Cc2ccccc2C2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DOCK5 Q9H7D0 1/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.42
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 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
SCHEMBL14391837 0.90 SIGMAR1 (0.41) SIGMAR1L3MBTL1MEN1KMT2ATSHR
SCHEMBL5578606 0.81 SIGMAR1 (0.48) SIGMAR1MEN1KMT2ATSHRALDH1A1
SCHEMBL5578733 0.80 SIGMAR1 (0.55) SIGMAR1ALDH1A1DRD2HTR2AHTR2C
SCHEMBL5578683 0.79 HDAC1 (0.52) MEN1KMT2AALDH1A1MAPK1
SCHEMBL5578642 0.79 GRIN2B (0.45) SIGMAR1L3MBTL1KMT2A
SCHEMBL5579023 0.78 SIGMAR1 (0.55) SIGMAR1
SCHEMBL11939144 0.76 SIGMAR1 (0.48) SIGMAR1MEN1DRD2
SCHEMBL12935204 0.73 KCNH2 (0.56) SIGMAR1
SCHEMBL12934833 0.72 SIGMAR1 (0.50) SIGMAR1TSHRALDH1A1DRD2TP53
SCHEMBL12934899 0.72 HDAC1 (0.52) SIGMAR1TSHRALDH1A1DRD2TP53

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 SIGMAR1 444/4885L3MBTL1 4305/4885MEN1 882/4885

“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.