SCHEMBL5578863

SCHEMBL5578863

C=CCN1CCC2(CC1)CN(C(=O)c1cccs1)Cc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
GRM5 P41594 1/20 0.42
GAA P10253 2/20 0.41
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KCNA5 P22460 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 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
SCHEMBL5578638 0.86 RAB9A (0.50) SIGMAR1ALDH1A1SMN1; SMN2HTTGAA
SCHEMBL5578570 0.84 SIGMAR1 (0.47) SIGMAR1ALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL5578695 0.83 SIGMAR1 (0.47) SIGMAR1CHRM2CHRM3NPC1RAB9A
SCHEMBL5578666 0.82 HDAC1 (0.45) SIGMAR1ALDH1A1SMN1; SMN2HTTGRM5
SCHEMBL5578508 0.81 SIGMAR1 (0.49) SIGMAR1ALDH1A1HTTNPC1TP53
SCHEMBL5578627 0.81 SIGMAR1 (0.49) SIGMAR1ALDH1A1HTTKCNA5RAB9A
SCHEMBL5578643 0.81 SIGMAR1 (0.49) SIGMAR1ALDH1A1HTTNPC1RAB9A
SCHEMBL5578829 0.78 SIGMAR1 (0.47) SIGMAR1ALDH1A1HTTGRM5NPC1
SCHEMBL5578696 0.78 SIGMAR1 (0.47) SIGMAR1ALDH1A1CHRM2CHRM3
SCHEMBL14366419 0.78 USP2 (0.48) SIGMAR1ALDH1A1SMN1; SMN2TSHR

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 4 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 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 444/4885ALDH1A1 634/4885SMN1; SMN2 236/4885

“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.