SCHEMBL5579955

SCHEMBL5579955

O=C(c1cccc2ccccc12)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
AXL P30530 3/20 0.40
MERTK Q12866 3/20 0.40
CSNK1D P48730 2/20 0.40
CYP2D6 P10635 1/20 0.40
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 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
SCHEMBL5578621 0.89 OPRM1 (0.43) OPRM1OPRK1OPRL1AXLMERTK
SCHEMBL5578801 0.87 OPRM1 (0.42) OPRM1OPRK1OPRL1AXLMERTK
SCHEMBL5578880 0.87 KDM2B (0.42) KDM2BOPRM1OPRK1OPRL1AXL
SCHEMBL5578452 0.85 KDM2B (0.45) KDM2BALDH1A1OPRM1OPRK1OPRL1
SCHEMBL5578726 0.85 CNR1 (0.38)
SCHEMBL5579306 0.85 HDAC1 (0.48) OPRM1OPRK1OPRL1AXLMERTK
SCHEMBL5578896 0.85 OPRM1 (0.45) OPRM1OPRK1OPRL1AXLMERTK
SCHEMBL5578605 0.85 OPRM1 (0.45) OPRM1OPRK1OPRL1AXLMERTK
SCHEMBL5579232 0.84 AXL (0.42) KDM2BOPRM1OPRK1OPRL1AXL
SCHEMBL5578620 0.84 OPRL1 (0.42) ALDH1A1OPRM1OPRK1OPRL1AXL

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 2776/4885KDM4E 2407/4885ALDH1A1 634/4885

“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.