SCHEMBL1884064

SCHEMBL1884064

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
CA2 P00918 10/20 0.47
LMNA P02545 5/20 0.36
ALDH1A1 P00352 3/20 0.35
CA1 P00915 1/20 0.34
MAPT P10636 3/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PTGS2 P35354 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1882531 1.00 HTR6 (0.50) HTR6CA2LMNAALDH1A1CA1
SCHEMBL1889166 0.88 CA2 (0.46) HTR6CA2LMNAALDH1A1CA1
SCHEMBL1080215 0.88 CA2 (0.46) HTR6CA2LMNAALDH1A1CA1
SCHEMBL1881449 0.87 CA2 (0.45) HTR6CA2LMNAALDH1A1CA1
SCHEMBL1879405 0.86 POLB (0.48) HTR6CA2LMNAALDH1A1CA1
SCHEMBL1082876 0.86 POLB (0.48) HTR6CA2LMNAALDH1A1CA1
SCHEMBL1885285 0.85 HTR6 (0.50) HTR6CA2LMNAALDH1A1CA1
SCHEMBL1019050 0.85 CA2 (0.43) HTR6CA2LMNAALDH1A1CA1
SCHEMBL1887847 0.85 CA2 (0.43) HTR6CA2LMNAALDH1A1MAPT
SCHEMBL1880646 0.85 CA2 (0.43) HTR6CA2CA1PTGS2

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 HTR6 111/4885CA2 3728/4885LMNA 4504/4885

“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.