SCHEMBL5578666

SCHEMBL5578666

C=CCN1CCC2(CC1)CN(C(=O)c1cccs1)c1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
NOTUM Q6P988 2/20 0.43
HTT P42858 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GRM5 P41594 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
SLC18A3 Q16572 1/20 0.37

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
SCHEMBL5579101 0.87 ALDH1A1 (0.39) TSHRSMN1; SMN2NPC1TP53RAB9A
SCHEMBL5578900 0.82 KDM4E (0.50) HDAC1HDAC6TSHRSMN1; SMN2NPC1
SCHEMBL5578863 0.82 SIGMAR1 (0.48) TSHRSMN1; SMN2NPC1TP53RAB9A
SCHEMBL5578434 0.81 HDAC1 (0.46) HDAC1HDAC6NOTUMSIGMAR1SLC18A3
SCHEMBL5578690 0.80 HDAC1 (0.46) HDAC1HDAC6TSHRNOTUMHTT
SCHEMBL5578489 0.80 HDAC1 (0.48) HDAC1HDAC6TP53RAB9ANOTUM
SCHEMBL5579550 0.78 HDAC1 (0.44) HDAC1HDAC6NOTUMSIGMAR1KMT2A
SCHEMBL5578818 0.78 ALDH1A1 (0.47) HDAC1HDAC6TSHRSMN1; SMN2TP53
SCHEMBL5578767 0.78 ATM (0.45) HDAC1HDAC6NOTUMSIGMAR1SLC18A3
SCHEMBL5578482 0.77 SIGMAR1 (0.43) HDAC1HDAC6NOTUMSIGMAR1SLC18A3

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 6 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-20070270429-A1 Function Inhibitor of Effector Cell ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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
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 (2 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 HDAC1 885/4885HDAC6 767/4885TSHR 3350/4885
US-20070270429-A1 Function Inhibitor of Effector Cell CCR5, CXCR3, CCR1 HDAC1 1946/4885HDAC6 1221/4885TSHR 874/4885

“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.