SCHEMBL3812490

SCHEMBL3812490

CCCC1CCC(N2CCC3(C=Cc4ccccc43)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.47
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
OPRL1 P41146 2/20 0.46
GRM2 Q14416 1/20 0.44
OXTR P30559 1/20 0.44

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
SCHEMBL3814924 0.80 OXTR (0.47) CCR2OXTR
SCHEMBL3815446 0.80 OXTR (0.47) CCR2OXTR
SCHEMBL3813549 0.80 OPRL1 (0.54) CCR2OPRM1OPRK1OPRL1OXTR
SCHEMBL3810273 0.75 OXTR (0.47) OXTR
SCHEMBL3810340 0.74 SIGMAR1 (0.54) OPRM1OPRK1OPRL1
SCHEMBL3813558 0.74 CCR2 (0.48) CCR2OPRM1OPRK1OPRL1OXTR
SCHEMBL3812883 0.74 CCR2 (0.45) CCR2OXTR
SCHEMBL13300484 0.73 MCHR2 (0.57) CCR2OXTR
SCHEMBL8012161 0.73 MCHR2 (0.58) OXTR
SCHEMBL4412826 0.72 GRIN2B (0.49) OPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018041-A1 Spiroindene and spiroindane compounds PURDUE PHARMA L.P. 2003-01-23 US claimed
EP-1385514-B9 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2009-08-12 EP disclosed
EP-2033644-A1 Spiroindene and spiroindane compounds EURO-CELTIQUE S.A. (LU) 2009-03-11 EP disclosed
EP-1385514-B1 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2008-11-05 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 CCR2 334/4885OPRM1 880/4885OPRK1 125/4885

“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.