SCHEMBL15319794

SCHEMBL15319794

CCC(O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A2 P23975 6/20 0.45
SLC6A4 P31645 6/20 0.45
PPARG P37231 5/20 0.44
EPHX2 P34913 4/20 0.44
PPARA Q07869 1/20 0.43
POLQ O75417 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL16534336 1.00 IDO1 (0.46) IDO1POLBMAPK1SLC6A2SLC6A4
SCHEMBL13849900 0.88 PPARG (0.45) IDO1POLBMAPK1SLC6A2SLC6A4
SCHEMBL14402485 0.88 PPARG (0.45) IDO1POLBMAPK1SLC6A2SLC6A4
SCHEMBL13003553 0.85 IDO1 (0.46) IDO1POLBMAPK1SLC6A2SLC6A4
SCHEMBL16534653 0.83 IDO1 (0.47) IDO1SLC6A2SLC6A4PPARGEPHX2
SCHEMBL2426168 0.83 IDO1 (0.47) IDO1SLC6A2SLC6A4PPARGEPHX2
SCHEMBL28982570 0.80 IDO1 (0.44) IDO1SLC6A2SLC6A4PPARGEPHX2
SCHEMBL6203603 0.79 IDO1 (0.47) IDO1SLC6A2SLC6A4PPARGEPHX2
SCHEMBL320896 0.79 IDO1 (0.50) IDO1POLBSLC6A2SLC6A4PPARG
SCHEMBL7508666 0.77 EPHX2 (0.53) IDO1POLBMAPK1PPARGEPHX2

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 IDO1 2450/4885POLB 3044/4885MAPK1 2563/4885

“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.