SCHEMBL4408255

SCHEMBL4408255

CC(C)CCC(C)N1CCC2(C=Cc3ccccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.48
CCR2 P41597 3/20 0.43
HSD11B1 P28845 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
SCHEMBL13664907 0.84 OXTR (0.53) OXTRHSD11B1
SCHEMBL14112075 0.78 OXTR (0.48) OXTRHSD11B1
SCHEMBL8472020 0.76 OXTR (0.57) OXTRHSD11B1
SCHEMBL8012161 0.75 MCHR2 (0.58) OXTR
Hydrochloric Acid SCHEMBL7383656 0.74 OXTR (0.55) OXTRHSD11B1
SCHEMBL4233731 0.73 OXTR (0.46) OXTRHSD11B1
SCHEMBL15717910 0.73 OXTR (0.51) OXTRHSD11B1
SCHEMBL13300484 0.72 MCHR2 (0.57) OXTRCCR2HSD11B1
SCHEMBL14671958 0.72 OXTR (0.54) OXTRHSD11B1
SCHEMBL12183908 0.72 OXTR (0.54) OXTRHSD11B1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385514-A4 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2005-04-13 EP claimed
EP-1385514-A1 SPIROINDENE AND SPIROINDANE COMPOUNDS Euro-Celtique S.A. (LU) 2004-02-04 EP claimed
US-20030018041-A1 Spiroindene and spiroindane compounds PURDUE PHARMA L.P. 2003-01-23 US claimed
WO-2002085354-A1 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2002-10-31 WO claimed
EP-2033644-A1 Spiroindene and spiroindane compounds EURO-CELTIQUE S.A. (LU) 2009-03-11 EP disclosed
EP-1385514-A4 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2005-04-13 EP disclosed
US-6828440-B2 Analgesics; side effect reduction EURO-CELTIQUE, S.A. (LU) 2004-12-07 US disclosed
EP-1385514-A1 SPIROINDENE AND SPIROINDANE COMPOUNDS Euro-Celtique S.A. (LU) 2004-02-04 EP disclosed
US-20030018041-A1 Spiroindene and spiroindane compounds PURDUE PHARMA L.P. 2003-01-23 US disclosed
WO-2002085354-A1 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2002-10-31 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-20030018041-A1 Spiroindene and spiroindane compounds NR3C2, REN, NR1I2 OXTR 959/4885CCR2 334/4885HSD11B1 44/4885

“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.