SCHEMBL5579045

SCHEMBL5579045

O=C(c1cccc(C(F)(F)F)c1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OPRL1 P41146 3/20 0.44
OPRK1 P41145 2/20 0.44
HSD11B1 P28845 1/20 0.44
NPY2R P49146 1/20 0.42
CYP3A4 P08684 2/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
CNR2 P34972 1/20 0.40
CRHR1 P34998 1/20 0.39
CYP2C19 P33261 1/20 0.39

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 0.92 OPRM1 (0.42) OPRM1OPRL1OPRK1NPY2RCYP3A4
SCHEMBL5578998 0.91 OPRM1 (0.44) OPRM1OPRL1OPRK1CYP3A4GAA
SCHEMBL5579306 0.88 HDAC1 (0.48) OPRM1OPRL1OPRK1
SCHEMBL5578985 0.87 KDM2B (0.44) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL5578544 0.86 SIGMAR1 (0.47) OPRM1OPRL1OPRK1
SCHEMBL5578871 0.86 CYP3A4 (0.41) HSD11B1CYP3A4LMNAPOLBHPGD
SCHEMBL5578717 0.86 OPRM1 (0.40) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL5578473 0.85 OPRM1 (0.44) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL5578575 0.85 HSD11B1 (0.46) OPRM1OPRL1OPRK1HSD11B1LMNA
SCHEMBL5578669 0.85 OPRM1 (0.40) OPRM1OPRL1OPRK1CYP3A4

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
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 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 OPRM1 630/4885OPRL1 240/4885OPRK1 131/4885

“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.