SCHEMBL1887847

SCHEMBL1887847

CC(C)CNCC1COc2c(F)cc(S(C)(=O)=O)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.43
HTR6 P50406 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1889166 0.87 CA2 (0.46) CA2HTR6LMNAALDH1A1MAPT
SCHEMBL1080215 0.87 CA2 (0.46) CA2HTR6LMNAALDH1A1MAPT
SCHEMBL1884497 0.87 CA2 (0.40) CA2HTR6HTR1AHTR7LMNA
SCHEMBL1881449 0.86 CA2 (0.45) CA2HTR6LMNAALDH1A1MAPT
SCHEMBL1082876 0.85 POLB (0.48) CA2HTR6LMNAALDH1A1SMN1; SMN2
SCHEMBL1879405 0.85 POLB (0.48) CA2HTR6LMNAALDH1A1SMN1; SMN2
SCHEMBL1882531 0.85 HTR6 (0.50) CA2HTR6LMNAALDH1A1MAPT
SCHEMBL1884064 0.85 HTR6 (0.50) CA2HTR6LMNAALDH1A1MAPT
SCHEMBL1019050 0.84 CA2 (0.43) CA2HTR6LMNAALDH1A1MAPT
SCHEMBL1081154 0.83 CA2 (0.40) CA2HTR1AHTR7ADRB2ADRB1

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
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
CN-102036976-A Modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB 2011-04-27 CN 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
CN-102036976-A Modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB 2011-04-27 CN 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 CA2 3728/4885HTR6 111/4885HTR1A 54/4885

“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.