SCHEMBL2096904

SCHEMBL2096904

Oc1ccc2c(c1)N(c1ccccc1)CCC2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.48
DRD5 P21918 8/20 0.48
DRD2 P14416 7/20 0.48
DRD3 P35462 7/20 0.48
DRD4 P21917 6/20 0.48
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
ACHE P22303 1/20 0.46
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
SIGMAR1 Q99720 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2097897 0.90 ESR2 (0.46) DRD1DRD5DRD2DRD3DRD4
SCHEMBL28109941 0.90 CHRM2 (0.48) DRD1DRD5DRD2DRD3DRD4
SCHEMBL17602223 0.87 DRD1 (0.48) DRD1DRD5DRD2DRD3DRD4
SCHEMBL3433243 0.84 CHRM2 (0.44) DRD1DRD5DRD2DRD3DRD4
SCHEMBL25177736 0.82 BRD4 (0.48) DRD1ACHESIGMAR1SMN1; SMN2MAPT
SCHEMBL26149606 0.81 ACHE (0.43) ACHESIGMAR1SMN1; SMN2MAPTMAPK1
SCHEMBL3501876 0.80 ACHE (0.48) DRD2DRD3DRD4CHRM2CHRM4
SCHEMBL11601096 0.80 SMN1; SMN2 (0.49) DRD1DRD5DRD2DRD3DRD4
SCHEMBL29478502 0.79 ROCK1 (0.51) SIGMAR1SMN1; SMN2MAPTMAPK1
SCHEMBL693233 0.79 ROCK1 (0.51) SIGMAR1SMN1; SMN2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163910-B2 Amide-substituted xanthene dyes ELITECH HOLDING B.V. (NL) 2012-04-24 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 US disclosed
WO-2009046165-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 WO disclosed
EP-1991552-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
WO-2007098182-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
US-20060199955-A1 Phosphonylated fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2006-09-07 US 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 (3 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-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 DRD1 4050/4885DRD5 2128/4885DRD2 4108/4885
US-20060199955-A1 Phosphonylated fluorescent dyes and conjugates PHOSPHO1, PFAS, PHPT1 DRD1 4050/4885DRD5 2128/4885DRD2 4108/4885
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES ANXA5, PHOSPHO1, TPST2 DRD1 4268/4885DRD5 3357/4885DRD2 4585/4885

“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.