SCHEMBL1886938

SCHEMBL1886938

CCCN(C)CC1COc2ccc(S(C)(=O)=O)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
CA2 P00918 3/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FFAR1 O14842 1/20 0.43
ALOX5 P09917 3/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD3 P35462 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1885362 0.90 LMNA (0.49) HTR6CA2LMNASMN1; SMN2FFAR1
SCHEMBL1884997 0.89 HTR6 (0.46) HTR6CA2LMNASMN1; SMN2FFAR1
SCHEMBL1890866 0.87 LMNA (0.47) HTR6CA2LMNASMN1; SMN2FFAR1
SCHEMBL1882834 0.84 LMNA (0.50) HTR6CA2LMNASMN1; SMN2FFAR1
SCHEMBL16658447 0.82 HTR6 (0.53) HTR6CA2LMNASMN1; SMN2FFAR1
SCHEMBL1885770 0.81 CA2 (0.36) HTR6CA2LMNASMN1; SMN2DRD3
SCHEMBL1882754 0.81 CA2 (0.36) HTR6CA2LMNASMN1; SMN2ALDH1A1
SCHEMBL1019478 0.78 HTR6 (0.52) HTR6CA2LMNASMN1; SMN2FFAR1
SCHEMBL1019674 0.78 HTR6 (0.52) HTR6CA2LMNASMN1; SMN2FFAR1
SCHEMBL1019472 0.78 HTR6 (0.52) HTR6CA2LMNASMN1; SMN2FFAR1

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 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.