SCHEMBL15532115

SCHEMBL15532115

CC(C)C(O)CCc1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
GPR52 Q9Y2T5 1/20 0.37
IDO1 P14902 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.35
ANPEP P15144 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
TRPA1 O75762 2/20 0.34
PYCR1 P32322 1/20 0.34
RIPK1 Q13546 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
SCHEMBL5281640 0.85 TAAR1 (0.50) TAAR1GPR52IDO1SLC6A2SLC6A4
SCHEMBL21777254 0.81 TAAR1 (0.41) TAAR1IDO1SLC6A2SLC6A4TSHR
SCHEMBL4365156 0.80 TAAR1 (0.54) TAAR1GPR52IDO1SLC6A2SLC6A4
SCHEMBL14036598 0.78 TAAR1 (0.47) TAAR1GPR52IDO1TSHRHPGD
SCHEMBL623814 0.77 SLC6A2 (0.61) TAAR1GPR52IDO1SLC6A2SLC6A4
SCHEMBL30521500 0.77 SLC6A2 (0.61) TAAR1GPR52IDO1SLC6A2SLC6A4
SCHEMBL108917 0.76 TRPA1 (0.50) SLC6A2SLC6A4SLC6A3TSHRHPGD
SCHEMBL17593488 0.76 TAAR1 (0.48) TAAR1GPR52IDO1TSHR
SCHEMBL16995424 0.75 TSHR (0.50) TAAR1GPR52TSHRHPGDANPEP
SCHEMBL21777255 0.75 TAAR1 (0.47) TAAR1GPR52IDO1SLC6A2SLC6A4

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-9688608-B2 Pyrazole tetrahydronaphthyl carboxamides BAYER CROPSCIENCE AG (DE) 2017-06-27 US disclosed
US-20160039741-A1 PYRAZOLE TETRAHYDRONAPHTHYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2016-02-11 US disclosed
US-9204646-B2 Pyrazole tetrahydronaphthyl carboxamides BAYER CROPSCIENCE AG (DE) 2015-12-08 US disclosed
EP-2877456-A1 PYRAZOLE TETRAHYDRONAPHTHYL CARBOXAMIDES Bayer CropScience AG (DE) 2015-06-03 EP disclosed
US-20150119242-A1 PYRAZOLE TETRAHYDRONAPHTHYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2015-04-30 US disclosed
WO-2013167548-A1 PYRAZOLE TETRAHYDRONAPHTHYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2013-11-14 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 (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-20160039741-A1 PYRAZOLE TETRAHYDRONAPHTHYL CARBOXAMIDES TPMT, HDHD5, CBR3 TAAR1 2670/4885GPR52 4597/4885IDO1 569/4885
US-20150119242-A1 PYRAZOLE TETRAHYDRONAPHTHYL CARBOXAMIDES TPMT, HDHD5, CBR3 TAAR1 2670/4885GPR52 4597/4885IDO1 569/4885

“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.