SCHEMBL5578871

SCHEMBL5578871

C=CCN1CCC2(CC1)CN(C(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
HSD11B1 P28845 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM5 P08912 1/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ABCB11 O95342 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
EBP Q15125 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
SCHEMBL5578629 0.92 TSHR (0.40) CYP3A4SMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL5579054 0.91 CYP2D6 (0.44) CYP3A4HPGDCYP2D6TSHRHDAC1
SCHEMBL5578688 0.88 HDAC1 (0.48) CYP2D6TSHRHDAC1HDAC6MAPK1
SCHEMBL5578768 0.87 HDAC1 (0.41) HSD11B1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5578712 0.86 HDAC1 (0.43) LMNATSHRHDAC1HDAC6TP53
SCHEMBL5578604 0.86 HDAC1 (0.36) CYP3A4HDAC1HDAC6SIGMAR1
SCHEMBL5579045 0.86 OPRM1 (0.44) CYP3A4HSD11B1POLBLMNAHPGD
SCHEMBL5578805 0.85 HDAC1 (0.40) CYP3A4HPGDCYP2D6TSHRHDAC1
SCHEMBL5579022 0.85 SIGMAR1 (0.38) LMNAHDAC1HDAC6SIGMAR1
SCHEMBL5578713 0.84 POLB (0.45) HSD11B1POLBMEN1KMT2AHDAC1

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 CYP3A4 1137/4885HSD11B1 308/4885POLB 3703/4885

“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.