SCHEMBL5578696

SCHEMBL5578696

C=CCN1CCC2(CC1)CN(C(=O)c1cccc(Cl)c1)Cc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
HSD11B1 P28845 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
TACR3 P29371 1/20 0.40
NAMPT P43490 1/20 0.39
THRB P10828 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL5578627 0.83 SIGMAR1 (0.49) SIGMAR1ALDH1A1KMT2ALMNAHSD11B1
SCHEMBL14366419 0.82 USP2 (0.48) SIGMAR1ALDH1A1
SCHEMBL5578695 0.82 SIGMAR1 (0.47) SIGMAR1CHRM2CHRM3HSD11B1TACR2
SCHEMBL5578643 0.81 SIGMAR1 (0.49) SIGMAR1ALDH1A1KMT2ALMNAHSD11B1
SCHEMBL5578570 0.81 SIGMAR1 (0.47) SIGMAR1ALDH1A1LMNAHSD11B1TACR2
SCHEMBL5578676 0.79 L3MBTL1 (0.49) SIGMAR1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL5578508 0.79 SIGMAR1 (0.49) SIGMAR1ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL5578829 0.79 SIGMAR1 (0.47) SIGMAR1ALDH1A1KDM4ELMNAHSD11B1
SCHEMBL5578863 0.78 SIGMAR1 (0.48) SIGMAR1CHRM2CHRM3ALDH1A1
SCHEMBL5578603 0.78 SIGMAR1 (0.46) SIGMAR1KDM4E

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
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO 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
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 444/4885CHRM2 287/4885CHRM3 370/4885

“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.