SCHEMBL5578684

SCHEMBL5578684

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC2(CCN(CC3CC3)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

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
SIGMAR1 Q99720 2/20 0.41
OPRL1 P41146 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
NOTUM Q6P988 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
SCHEMBL5578770 0.89 OPRM1 (0.42) USP2TSHRCYP3A4CYP1A2SMN1; SMN2
SCHEMBL5579070 0.84 HDAC1 (0.47) HDAC1HDAC6USP2TSHRCYP3A4
SCHEMBL5579045 0.82 OPRM1 (0.44) CYP3A4OPRL1OPRM1OPRK1CYP2C19
SCHEMBL5578920 0.79 HDAC1 (0.50) HDAC1HDAC6SIGMAR1OPRL1OPRM1
SCHEMBL5578599 0.78 AXL (0.46) HDAC1HDAC6CYP2D6SIGMAR1OPRL1
SCHEMBL5579306 0.78 HDAC1 (0.48) HDAC1HDAC6CYP2D6SIGMAR1OPRL1
SCHEMBL5579103 0.78 HDAC1 (0.48) HDAC1HDAC6CYP2D6CYP2C9SIGMAR1
SCHEMBL5578576 0.76 HDAC1 (0.47) HDAC1HDAC6CYP3A4ALDH1A1SIGMAR1
SCHEMBL5578841 0.76 SIGMAR1 (0.49) HDAC1HDAC6SIGMAR1OPRL1OPRM1
SCHEMBL14580774 0.76 OPRL1 (0.54) SIGMAR1OPRL1OPRM1OPRK1NOTUM

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 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.