SCHEMBL4828488

SCHEMBL4828488

c1ccc2c(c1)CC[C@@H]([C@@H]1CO1)O2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
HTR1A P08908 5/20 0.40
HTR1D P28221 3/20 0.40
SIGMAR1 Q99720 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL3971528 1.00 CA2 (0.42) CA2CHRM2CHRM4CHRM5CHRM1
SCHEMBL5722725 1.00 CA2 (0.42) CA2CHRM2CHRM4CHRM5CHRM1
SCHEMBL7222682 1.00 CA2 (0.42) CA2CHRM2CHRM4CHRM5CHRM1
SCHEMBL29462397 0.92 CA2 (0.46) CA2CHRM2CHRM4CHRM5CHRM1
SCHEMBL1934942 0.82 CA2 (0.38) CA2CHRM2CHRM4CHRM5CHRM1
SCHEMBL30703411 0.81 CHRM2 (0.42) CA2CHRM2CHRM4CHRM5CHRM1
SCHEMBL1567113 0.80 HTR1A (0.45) CA2CHRM2CHRM4CHRM5CHRM1
SCHEMBL2395914 0.80 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1451005 0.79 STS (0.47) CA2CHRM2CHRM4CHRM5CHRM1
SCHEMBL27918729 0.77 CHRM2 (0.36) CA2CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358239-B2 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-15 US disclosed
US-7273862-B2 Aminoalkyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-25 US disclosed
US-20050159406-A1 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives DE BRUYN MARCEL F L (BE) 2005-07-21 US disclosed
US-6900222-B1 Pyrrolidinyl, piperdinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-31 US disclosed
US-20050096378-A1 Aminoalkyl substituted (benzodioxan, benzofuran or benzopyran) derivatives VAN EMELEN KRISTOF (BE) 2005-05-05 US disclosed
US-6864273-B1 Aminoalkyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-08 US disclosed
EP-1187831-B1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2004-10-13 EP disclosed
EP-1187829-B1 AMINOALKYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-12-10 EP disclosed
EP-1187829-A1 AMINOALKYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES Janssen Pharmaceutica N.V. (BE) 2002-03-20 EP disclosed
EP-1187831-A1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-20 EP disclosed
WO-2000075137-A1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-12-14 WO disclosed
WO-2000075136-A1 AMINOALKYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-12-14 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 (2 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-20050159406-A1 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives HRH2, CBR1, CBR3 CA2 115/4885CHRM2 39/4885CHRM4 331/4885
US-20050096378-A1 Aminoalkyl substituted (benzodioxan, benzofuran or benzopyran) derivatives CBR1, QSOX1, HRH2 CA2 75/4885CHRM2 16/4885CHRM4 241/4885

“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.