SCHEMBL5578638

SCHEMBL5578638

C=CCN1CCC2(CC1)CN(C(=O)c1ccc(Br)s1)Cc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIGMAR1 Q99720 5/20 0.47
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34
HSD11B1 P28845 2/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL5578570 0.89 SIGMAR1 (0.47) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL5578863 0.86 SIGMAR1 (0.48) RAB9ANPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL5578695 0.80 SIGMAR1 (0.47) RAB9ANPC1SIGMAR1HSD11B1
SCHEMBL5578643 0.79 SIGMAR1 (0.49) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL5578508 0.79 SIGMAR1 (0.49) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL5578627 0.79 SIGMAR1 (0.49) RAB9AALDH1A1HTTLMNASIGMAR1
SCHEMBL5578829 0.77 SIGMAR1 (0.47) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL5578696 0.77 SIGMAR1 (0.47) ALDH1A1LMNASIGMAR1KMT2AHSD11B1
SCHEMBL14366419 0.76 USP2 (0.48) ALDH1A1SMN1; SMN2SIGMAR1HPGDHSD17B10
SCHEMBL5578603 0.76 SIGMAR1 (0.46) SIGMAR1

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 RAB9A 1593/4885NPC1 113/4885ALDH1A1 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.