SCHEMBL3814166

SCHEMBL3814166

Fc1ccc(C(CCCN2CCC3(C=Cc4ccccc43)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.53
TACR1 P25103 1/20 0.53
CCR5 P51681 1/20 0.53
HTR2A P28223 4/20 0.51
HRH1 P35367 4/20 0.51
DRD3 P35462 4/20 0.51
OPRD1 P41143 4/20 0.51
OPRK1 P41145 4/20 0.51
SLC6A3 Q01959 4/20 0.51
HTR2C P28335 3/20 0.51
OPRM1 P35372 3/20 0.51
HTR6 P50406 3/20 0.51
ADRA1A P35348 3/20 0.51
DRD2 P14416 3/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
HTR2B P41595 3/20 0.51
CACNA1C Q13936 2/20 0.51

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
SCHEMBL4234080 0.85 DRD3 (0.48) CCR2TACR1CCR5HTR2AHRH1
SCHEMBL3819961 0.84 OPRL1 (0.53) CCR2TACR1CCR5OPRM1OPRL1
SCHEMBL8246457 0.83 DRD3 (0.50) HTR2AHRH1DRD3OPRD1OPRK1
SCHEMBL13962992 0.79 CCR2 (0.57) CCR2TACR1CCR5ADRA1AADRA1D
SCHEMBL4223179 0.79 CACNA1B (0.53) CCR2TACR1CCR5HTR2AHRH1
SCHEMBL6397901 0.76 MCHR2 (0.53) CCR2MCHR2
SCHEMBL7382052 0.76 MCHR2 (0.58) CCR2MCHR2
SCHEMBL3818975 0.76 SIGMAR1 (0.63) CCR2HTR2AHRH1DRD3OPRD1
SCHEMBL8693564 0.76 MCHR2 (0.58) CCR2OPRM1MCHR2
SCHEMBL4379525 0.75 DRD3 (0.58) HTR2AHRH1DRD3OPRD1OPRK1

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 334/4885TACR1 70/4885CCR5 721/4885

“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.