SCHEMBL3433243

SCHEMBL3433243

Cc1ccc(N2CCCc3ccc(O)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
ALDH1A1 P00352 3/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
DRD1 P21728 6/20 0.42
DRD5 P21918 6/20 0.42
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
DRD4 P21917 4/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
KCNQ2 O43526 1/20 0.40
ESR1 P03372 3/20 0.38
ESR2 Q92731 2/20 0.38
RXRA P19793 1/20 0.37

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
SCHEMBL3431666 0.91 DRD2 (0.44) CHRM2CHRM4ALDH1A1PDK1PDK2
SCHEMBL28109941 0.91 CHRM2 (0.48) CHRM2CHRM4ALDH1A1PDK1PDK2
SCHEMBL2096904 0.84 DRD1 (0.48) CHRM2CHRM4DRD1DRD5DRD2
SCHEMBL3433207 0.78 TP53 (0.43) CHRM2CHRM4ALDH1A1USP2TSHR
SCHEMBL2201933 0.78 SMN1; SMN2 (0.53) ALDH1A1USP2TSHRSMN1; SMN2TP53
SCHEMBL2097897 0.74 ESR2 (0.46) DRD1DRD5DRD2DRD3DRD4
SCHEMBL11601096 0.74 SMN1; SMN2 (0.49) CHRM2CHRM4ALDH1A1DRD1DRD5
SCHEMBL1282891 0.74 DRD1 (0.53) CHRM2CHRM4ALDH1A1PDK1PDK2
SCHEMBL17602223 0.72 DRD1 (0.48) PDK1PDK2PDK3PDK4DRD1
SCHEMBL6575713 0.72 KMT2A (0.46) ALDH1A1SMN1; SMN2ESR1ESR2MEN1

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 4 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
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 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 (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-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 CHRM2 4806/4885CHRM4 4449/4885ALDH1A1 1457/4885
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES ANXA5, PHOSPHO1, TPST2 CHRM2 3604/4885CHRM4 2438/4885ALDH1A1 4277/4885

“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.