SCHEMBL503318

SCHEMBL503318

C=CCO[C@@H](C)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.38
PGR P06401 3/20 0.38
NR3C2 P08235 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
DRD3 P35462 1/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AOC3 Q16853 1/20 0.34

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
SCHEMBL11272926 0.85 IDO1 (0.38) NR3C1PGRIDO1MEN1KMT2A
SCHEMBL8645353 0.81 ESR1 (0.43) PGRSLC6A2SLC6A3DRD3MEN1
SCHEMBL13370305 0.81 MEN1 (0.35) NR3C1PGRSLC6A4IDO1MEN1
SCHEMBL873640 0.81 MEN1 (0.47) NR3C1PGRSLC6A4MEN1KMT2A
SCHEMBL11259115 0.80 ALDH1A1 (0.47) SLC6A4AOC3
SCHEMBL28448435 0.77 LSS (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL3316321 0.76 RXRA (0.43) KMT2A
SCHEMBL1711933 0.75 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3DRD3IDO1
SCHEMBL6388936 0.73 HPGD (0.37) MEN1KMT2A
SCHEMBL7775712 0.73 ALDH1A1 (0.47) NR3C1PGRNR3C2MEN1KMT2A

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-9132136-B2 Pharmaceutical combination HOFFMANN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-20130345201-A1 PHARMACEUTICAL COMBINATION HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
EP-2600853-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-12 EP disclosed
CN-103068379-A Combinations comprising an atypical antipsychotic and a TAAR1 agonist HOFFMANN LA ROCHE 2013-04-24 CN disclosed
WO-2012016879-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-09 WO disclosed
US-20120028964-A1 PHARMACEUTICAL COMBINATION SEMINIS VEGETABLE SEEDS, INC. 2012-02-02 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 (2 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-20120028964-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R NR3C1 446/4885PGR 2499/4885NR3C2 262/4885
US-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R NR3C1 446/4885PGR 2499/4885NR3C2 262/4885

“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.