SCHEMBL1019856

SCHEMBL1019856

CCNC[C@H]1COc2cccc(F)c2O1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 11/20 0.60
ADRA1A P35348 11/20 0.60
ADRA1B P35368 11/20 0.60
POLB P06746 1/20 0.51
ESR2 Q92731 1/20 0.51
CA2 P00918 2/20 0.49
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL1019956 0.89 POLB (0.67) ADRA1DADRA1AADRA1BPOLBESR2
SCHEMBL8367125 0.80 POLB (0.75) ADRA1DADRA1AADRA1BPOLBESR2
SCHEMBL18358970 0.80 POLB (0.75) ADRA1DADRA1AADRA1BPOLBESR2
SCHEMBL6104980 0.79 CA2 (0.51) ADRA1DADRA1AADRA1BPOLBESR2
SCHEMBL1021052 0.77 ADRA1A (0.47) ADRA1DADRA1AADRA1BCA2HTR1A
SCHEMBL6974656 0.77 ADRA1A (0.47) ADRA1DADRA1AADRA1BCA2HTR1A
SCHEMBL14367867 0.77 ADRA1D (0.53) ADRA1DADRA1AADRA1BCA2HTR1A
SCHEMBL14367882 0.77 ADRA1D (0.53) ADRA1DADRA1AADRA1BCA2HTR1A
SCHEMBL4961831 0.76 ADRA1D (0.47) ADRA1DADRA1AADRA1BPOLBESR2
SCHEMBL1885058 0.76 CA2 (0.40) ADRA1DADRA1AADRA1BPOLBESR2

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 5 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 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
EP-2271634-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133107-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 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-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.