SCHEMBL1884271

SCHEMBL1884271

COCCNCC1COc2c(F)cc(S(C)(=O)=O)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 17/20 0.42
ADRA1A P35348 17/20 0.42
ADRA1B P35368 17/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
HTR1A P08908 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 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
SCHEMBL1082876 0.88 POLB (0.48) ADRA1DADRA1AADRA1BCA2CA1
SCHEMBL1879405 0.88 POLB (0.48) ADRA1DADRA1AADRA1BCA2CA1
SCHEMBL1887040 0.87 ADRA1D (0.43) ADRA1DADRA1AADRA1BCA2CA1
SCHEMBL1019050 0.87 CA2 (0.43) ADRA1DADRA1AADRA1BCA2CA1
SCHEMBL1882286 0.86 CA2 (0.42) ADRA1DADRA1AADRA1BCA2CA1
SCHEMBL1082579 0.86 CA2 (0.42) ADRA1DADRA1AADRA1BCA2CA1
SCHEMBL1889166 0.85 CA2 (0.46) CA2CA1CA4CA5ACA9
SCHEMBL1080215 0.85 CA2 (0.46) CA2CA1CA4CA5ACA9
SCHEMBL1083037 0.84 ADRA1D (0.46) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL1882531 0.83 HTR6 (0.50) CA2CA1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP claimed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US claimed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US claimed
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP disclosed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US disclosed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 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 (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-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 ADRA1D 30/4885ADRA1A 45/4885ADRA1B 56/4885

“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.