SCHEMBL5578593

SCHEMBL5578593

COc1ccc(C(=O)N2CC3(CCN(CC4CC4)CC3)c3cc(F)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 9/20 0.48
OPRM1 P35372 3/20 0.44
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL5578511 0.93 ALDH1A1 (0.46) KDM2BOPRM1OPRK1OPRL1DRD2
SCHEMBL5578544 0.91 SIGMAR1 (0.47) KDM2BOPRM1OPRK1OPRL1DRD2
SCHEMBL5579018 0.88 OPRM1 (0.43) KDM2BOPRM1OPRK1OPRL1DRD2
SCHEMBL5579306 0.88 HDAC1 (0.48) OPRM1OPRK1OPRL1DRD2HTR2A
SCHEMBL5578936 0.87 OPRM1 (0.42) KDM2BOPRM1OPRK1OPRL1
SCHEMBL5578592 0.87 CCR3 (0.44) KDM2BOPRM1OPRK1OPRL1
SCHEMBL5578473 0.87 OPRM1 (0.44) KDM2BOPRM1OPRK1OPRL1DRD2
SCHEMBL5578540 0.86 SLC18A3 (0.46) DRD2HTR2AHTR2C
SCHEMBL5578457 0.85 HSD11B1 (0.43) OPRM1OPRK1OPRL1DRD2HTR2A
SCHEMBL5579232 0.85 AXL (0.42) KDM2BOPRM1OPRK1OPRL1DRD2

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 KDM2B 2776/4885OPRM1 630/4885OPRK1 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.