SCHEMBL15319953

SCHEMBL15319953

CCOC(=O)C1OC(CC)Cc2c(Br)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
DRD1 P21728 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAOA P21397 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
BCHE P06276 1/20 0.34
IDO1 P14902 1/20 0.33
NR1D1 P20393 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL16534972 0.85 DRD1 (0.39) DRD1ALDH1A1MAOAKDM4ECYP1A2
SCHEMBL15320863 0.83 TERT (0.37) TSHRDRD1ALDH1A1MEN1KMT2A
SCHEMBL16534426 0.80 TSHR (0.39) TSHRSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL15320886 0.79 TSHR (0.38) TSHRDRD1SIGMAR1ALDH1A1MEN1
SCHEMBL16534907 0.78 SIGMAR1 (0.39) TSHRSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL15319258 0.77 TSHR (0.36) TSHRSIGMAR1ALDH1A1MAPTKDM4E
SCHEMBL16534902 0.77 MAOA (0.42) TSHRDRD1ALDH1A1MAOAMAPT
SCHEMBL15319369 0.75 DRD1 (0.42) DRD1MAOACA12CA1CA2
SCHEMBL15319670 0.74 DRD1 (0.49) DRD1ALDH1A1MAOAKDM4E
SCHEMBL23871675 0.74 TSHR (0.39) TSHRALDH1A1MAPTCYP1A2CYP2C19

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 141/4885DRD1 428/4885SIGMAR1 40/4885

“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.