SCHEMBL5578829

SCHEMBL5578829

C=CCN1CCC2(CC1)CN(C(=O)c1cccc(F)c1F)Cc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.47
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.39
GRM5 P41594 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC18A3 Q16572 1/20 0.35
TSHR P16473 1/20 0.34
NAMPT P43490 1/20 0.34
P2RX7 Q99572 1/20 0.34
OPRL1 P41146 1/20 0.34
HSD11B1 P28845 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL5578508 0.93 SIGMAR1 (0.49) SIGMAR1NPC1RAB9ATSHRNAMPT
SCHEMBL5578643 0.89 SIGMAR1 (0.49) SIGMAR1NPC1RAB9ASLC18A3HSD11B1
SCHEMBL5578603 0.86 SIGMAR1 (0.46) SIGMAR1GRM5SLC18A3KDM4E
SCHEMBL5578627 0.85 SIGMAR1 (0.49) SIGMAR1HPGDRAB9ANAMPTHSD11B1
SCHEMBL5578767 0.82 ATM (0.45) SIGMAR1HPGDATMSLC18A3
SCHEMBL5578682 0.79 KMT2A (0.47) SIGMAR1RAB9ATSHRKDM4EALDH1A1
SCHEMBL5578696 0.79 SIGMAR1 (0.47) SIGMAR1NAMPTHSD11B1KDM4EALDH1A1
SCHEMBL5578863 0.78 SIGMAR1 (0.48) SIGMAR1GRM5NPC1RAB9ATSHR
SCHEMBL5578565 0.78 SIGMAR1 (0.42) SIGMAR1NPC1RAB9AKDM4E
SCHEMBL14366419 0.78 USP2 (0.48) SIGMAR1HPGDTSHRALDH1A1

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 SIGMAR1 444/4885HPGD 219/4885ATM 2441/4885

“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.