SCHEMBL3818359

SCHEMBL3818359

CC1(C)CN([C@@H](c2ccccc2Br)[C@H](O)CO)c2c(F)cccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.58
SLC6A4 P31645 17/20 0.58
SLC6A3 Q01959 4/20 0.58
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL4080592 0.85 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3
SCHEMBL3816816 0.82 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL4083459 0.80 SLC6A2 (0.79) SLC6A2SLC6A4SLC6A3
SCHEMBL3820677 0.79 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3
SCHEMBL4719280 0.78 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3
SCHEMBL4077212 0.73 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL4087061 0.73 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4079983 0.72 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL4077415 0.69 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL4085254 0.69 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3

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-2091933-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2009-08-26 EP disclosed
US-20080153873-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-26 US disclosed
WO-2008073943-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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-20080153873-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE DBH, SLC6A3, SLC6A4 SLC6A2 5/4885SLC6A4 3/4885SLC6A3 2/4885

“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.