SCHEMBL5657220

SCHEMBL5657220

CC(C)Cc1cc(Br)c2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 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
SCHEMBL5018742 0.80 TAAR1 (0.41) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL16396718 0.79 CYP3A4 (0.42) TAAR1SLC6A4CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL5655226 0.78 TAAR1 (0.40) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL29960577 0.75 CYP3A4 (0.43) TAAR1CYP2D6CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL13219042 0.74 P2RX4 (0.36) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL104467 0.72 TAAR1 (0.74) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL31480904 0.71 MEN1 (0.34) CYP2D6CYP3A4ALDH1A1NPSR1POLB
SCHEMBL5659858 0.71 PTGS2 (0.36)
SCHEMBL29960298 0.71 HSP90AB1 (0.45) CYP3A4ALDH1A1SMN1; SMN2NPSR1
SCHEMBL12553089 0.71 NPC1 (0.36) CYP3A4ALDH1A1SMN1; SMN2NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196108-B2 Bicyclic heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2007-03-27 US disclosed
EP-1487446-A4 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-19 EP disclosed
EP-1487446-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego, Inc. (US) 2004-12-22 EP disclosed
US-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2004-02-19 US disclosed
WO-2003075858-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 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-20040034004-A1 Bicyclic heterocycles for the treatment of diabetes and other diseases PC, CYP27A1, GPR119 TAAR1 1581/4885SLC6A4 3791/4885SLC6A2 3030/4885

“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.