SCHEMBL5579070

SCHEMBL5579070

C=CCN1CCC2(CC1)CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
USP2 O75604 9/20 0.45
TSHR P16473 6/20 0.43
CYP3A4 P08684 6/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.41
CYP2C9 P11712 1/20 0.41
NOTUM Q6P988 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2C19 P33261 1/20 0.40

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 0.89 TSHR (0.40) USP2TSHRCYP3A4CYP1A2CYP2D6
SCHEMBL5578684 0.84 HDAC1 (0.47) HDAC1HDAC6USP2TSHRCYP3A4
SCHEMBL14366419 0.83 USP2 (0.48) USP2TSHRCYP3A4CYP1A2CYP2D6
SCHEMBL5578871 0.82 CYP3A4 (0.41) HDAC1HDAC6TSHRCYP3A4CYP2D6
SCHEMBL5578434 0.81 HDAC1 (0.46) HDAC1HDAC6CYP1A2CYP2C9NOTUM
SCHEMBL5578690 0.80 HDAC1 (0.46) HDAC1HDAC6TSHRNOTUMSIGMAR1
SCHEMBL5578751 0.79 HDAC1 (0.50) HDAC1HDAC6NOTUMSIGMAR1
SCHEMBL5578482 0.78 SIGMAR1 (0.43) HDAC1HDAC6CYP2D6NOTUMSIGMAR1
SCHEMBL5578648 0.78 POLB (0.52) HDAC1HDAC6SMN1; SMN2ALDH1A1
SCHEMBL5578576 0.78 HDAC1 (0.47) HDAC1HDAC6CYP3A4ALDH1A1NOTUM

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 HDAC1 885/4885HDAC6 767/4885USP2 4648/4885

“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.