SCHEMBL1879135

SCHEMBL1879135

CCN(Cc1ccccc1)C[C@H]1COc2ccc(S(C)(=O)=O)c(F)c2O1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
LTA4H P09960 6/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.35
NR1D1 P20393 1/20 0.35
HPGD P15428 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
ALOX5 P09917 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 1/20 0.34
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1018752 0.92 CA2 (0.39) CA2LTA4HLMNASMN1; SMN2NR1D1
SCHEMBL1018053 0.82 LTA4H (0.40) CA2LTA4HLMNASMN1; SMN2KDM4E
SCHEMBL1021465 0.82 KDM4E (0.49) CA2LTA4HLMNASMN1; SMN2KDM4E
SCHEMBL1885058 0.75 CA2 (0.40) CA2
SCHEMBL1019554 0.75 LTA4H (0.34) CA2LTA4HLMNASMN1; SMN2NR1D1
SCHEMBL1019545 0.73 KDM4E (0.41) CA2LTA4HLMNASMN1; SMN2KDM4E
SCHEMBL22204407 0.69 KDM4E (0.46) LTA4HKDM4EMAOBL3MBTL1
SCHEMBL1882834 0.69 LMNA (0.50) CA2LMNASMN1; SMN2HPGDALDH1A1
SCHEMBL6855950 0.67 DRD2 (0.39) CA2LMNANR1D1ALDH1A1ALOX5
SCHEMBL1884190 0.65 CA2 (0.39) CA2LMNASMN1; SMN2HPGDMEN1

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 3 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

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 3728/4885LTA4H 1989/4885LMNA 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.