SCHEMBL5103244

SCHEMBL5103244

OCC(O)C(c1ccccc1Br)N1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.50
SLC6A4 P31645 5/20 0.50
GAA P10253 4/20 0.39
TSHR P16473 4/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 2/20 0.37
CDK4 P11802 1/20 0.37
ALOX15 P16050 1/20 0.37
CCND1 P24385 1/20 0.37
GFER P55789 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 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
SCHEMBL4090139 0.82 SLC6A2 (0.71) SLC6A2SLC6A4GAAALDH1A1MEN1
SCHEMBL4086867 0.81 SLC6A2 (0.57) SLC6A2SLC6A4GAALMNAALDH1A1
SCHEMBL3822047 0.76 SLC6A2 (0.43) SLC6A2SLC6A4TSHRLMNAALDH1A1
SCHEMBL4087261 0.76 SLC6A2 (0.61) SLC6A2SLC6A4TP53POLB
SCHEMBL4080168 0.75 SLC6A2 (0.57) SLC6A2SLC6A4GAATSHRLMNA
SCHEMBL4077218 0.74 SLC6A2 (0.56) SLC6A2SLC6A4GAAKMT2AMAPT
SCHEMBL4081814 0.74 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL13066479 0.74 ALDH1A1 (0.50) SLC6A2SLC6A4GAATSHRALDH1A1
SCHEMBL4718345 0.73 SLC6A2 (0.53) SLC6A2SLC6A4LMNAMEN1KMT2A
SCHEMBL4719429 0.73 SLC6A2 (0.57) SLC6A2SLC6A4GAAALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153873-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-26 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-20080153873-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE DBH, SLC6A3, SLC6A4 SLC6A2 5/4885SLC6A4 3/4885GAA 133/4885

“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.