SCHEMBL3815446

SCHEMBL3815446

C1=CC2(CCN(C3CCCCCCCCC3)CC2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.47
CCR2 P41597 2/20 0.45

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 1.00 OXTR (0.47) OXTRCCR2
SCHEMBL3813558 0.84 CCR2 (0.48) OXTRCCR2
SCHEMBL3813549 0.82 OPRL1 (0.54) OXTRCCR2
SCHEMBL3810273 0.82 OXTR (0.47) OXTR
Hydrochloric Acid SCHEMBL8984137 0.81 SLC18A3 (0.54)
SCHEMBL3812490 0.80 CCR2 (0.47) OXTRCCR2
SCHEMBL4412826 0.80 GRIN2B (0.49)
SCHEMBL3815229 0.79 SIGMAR1 (0.55)
SCHEMBL3812883 0.79 CCR2 (0.45) OXTRCCR2
SCHEMBL24505981 0.77 OXTR (0.48) OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385514-B9 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2009-08-12 EP claimed
EP-1385514-B1 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2008-11-05 EP claimed
EP-1385514-A4 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2005-04-13 EP claimed
US-6828440-B2 Analgesics; side effect reduction EURO-CELTIQUE, S.A. (LU) 2004-12-07 US 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-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 OXTR 959/4885CCR2 334/4885

“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.