SCHEMBL15319840

SCHEMBL15319840

CCC(O)Cc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TAAR1 Q96RJ0 3/20 0.41
IDO1 P14902 2/20 0.39
RIPK1 Q13546 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
BLM P54132 1/20 0.38
EPHX2 P34913 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
TRPA1 O75762 1/20 0.36
PYCR1 P32322 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL15319423 0.85 TSHR (0.40) TSHRTAAR1IDO1RIPK1PPARG
SCHEMBL15532117 0.79 TRPA1 (0.58) TSHRTAAR1IDO1RIPK1PPARG
SCHEMBL15319808 0.79 TAAR1 (0.37) TSHRTAAR1IDO1RIPK1PPARG
SCHEMBL15319327 0.79 TAAR1 (0.44) TSHRTAAR1IDO1RIPK1PPARG
SCHEMBL14997308 0.79 TAAR1 (0.44) TSHRTAAR1IDO1RIPK1PPARG
SCHEMBL625240 0.79 TAAR1 (0.44) TSHRTAAR1IDO1RIPK1PPARG
SCHEMBL29679614 0.79 TAAR1 (0.44) TSHRTAAR1IDO1RIPK1PPARG
SCHEMBL10701084 0.79 TAAR1 (0.46) TSHRTAAR1IDO1RIPK1PPARG
SCHEMBL6424581 0.78 TAAR1 (0.42) TAAR1PPARGPPARACYP1A2CYP2D6
SCHEMBL6939830 0.78 HSPA5 (0.48) TSHRTAAR1IDO1CYP2D6SLC6A2

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 TSHR 141/4885TAAR1 75/4885IDO1 2450/4885

“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.