SCHEMBL15319808

SCHEMBL15319808

OC(Cc1ccccc1Br)CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
IDO1 P14902 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
RIPK1 Q13546 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
CYP2A13 Q16696 1/20 0.31
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GPR52 Q9Y2T5 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL15319840 0.79 TSHR (0.42) TAAR1PPARGPPARAIDO1SLC6A2
SCHEMBL15319281 0.79 TAAR1 (0.37) TAAR1PPARGPPARASLC6A2SLC6A4
SCHEMBL15319419 0.75 IDO1 (0.42) TAAR1IDO1SLC6A2SLC6A4TSHR
SCHEMBL15319961 0.75 IDO1 (0.42) TAAR1IDO1SLC6A2SLC6A4TSHR
SCHEMBL10701084 0.74 TAAR1 (0.46) TAAR1PPARGPPARAIDO1SLC6A2
SCHEMBL28537428 0.73 TRPA1 (0.44) TAAR1PPARGPPARASLC6A2SLC6A4
SCHEMBL15319423 0.73 TSHR (0.40) TAAR1PPARGPPARAIDO1SLC6A2
SCHEMBL16684499 0.71 TAAR1 (0.37) TAAR1PPARGPPARAIDO1SLC6A2
SCHEMBL625240 0.71 TAAR1 (0.44) TAAR1PPARGPPARAIDO1SLC6A2
SCHEMBL29679614 0.71 TAAR1 (0.44) TAAR1PPARGPPARAIDO1SLC6A2

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
EP-2834233-B1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORP (FI) 2018-04-25 EP disclosed
US-9249127-B2 Alpha2 adrenoceptor agonists ORION CORPORATION (FI) 2016-02-02 US disclosed
US-20150065550-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORPORATION (FI) 2015-03-05 US disclosed
EP-2834233-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS Orion Corporation (FI) 2015-02-11 EP disclosed
WO-2013150173-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORPORATION (FI) 2013-10-10 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-20150065550-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ADRA2A, ADRB2, ADRA2C TAAR1 75/4885PPARG 714/4885PPARA 680/4885

“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.