SCHEMBL5578784

SCHEMBL5578784

C=CCN1CCC2(CC1)CN(C(=O)c1ccc3c(c1)OCO3)c1ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 3/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL5578712 0.88 HDAC1 (0.43) TSHRLMNAHDAC1HDAC6
SCHEMBL5579089 0.86 TSHR (0.46) TSHRL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL14618521 0.85 HDAC1 (0.38) ALDH1A1MAPTLMNAHPGDGAA
SCHEMBL5579054 0.85 CYP2D6 (0.44) TSHRALDH1A1USP2HPGDGAA
SCHEMBL5578500 0.84 HDAC1 (0.43) TSHRHDAC1HDAC6CYP1A2CYP3A4
SCHEMBL5578688 0.84 HDAC1 (0.48) TSHRMAPTHDAC1HDAC6CYP2D6
SCHEMBL5578655 0.83 HDAC1 (0.36) HDAC1HDAC6
SCHEMBL5578443 0.82 NOTUM (0.40) HDAC1HDAC6
SCHEMBL5578604 0.82 HDAC1 (0.36) HDAC1HDAC6CYP3A4
SCHEMBL5578768 0.82 HDAC1 (0.41) ALDH1A1LMNAHDAC1HDAC6CYP2D6

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 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

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 TSHR 3350/4885L3MBTL1 4305/4885NPC1 113/4885

“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.