SCHEMBL4847243

SCHEMBL4847243

COC(=O)[C@]1(Cc2ccc(Br)cc2)CCCN1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
HRH3 Q9Y5N1 3/20 0.39
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 3/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TACR1 P25103 1/20 0.35
TACR3 P29371 1/20 0.35
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35

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
SCHEMBL4847242 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HRH3KDM4E
SCHEMBL14254704 0.88 FPR2 (0.44) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL14893231 0.86 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
Hydrochloric Acid SCHEMBL2084335 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HRH3KDM4E
SCHEMBL4849081 0.84 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL1816048 0.84 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL4840142 0.84 CYP3A4 (0.44) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL4798320 0.84 CYP3A4 (0.44) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL4800534 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL11953374 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TACR1TACR3

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
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2005-07-07 US disclosed
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP disclosed
EP-1307455-A2 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-05-07 EP disclosed
WO-2001030781-A2 INHIBITORS OF αLβ2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-05-03 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-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 SLC6A2 594/4885SLC6A4 3050/4885SLC6A3 2539/4885

“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.