SCHEMBL15321005

SCHEMBL15321005

COC(=O)C1OCCc2c(C)cccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 3/20 0.38
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
SLC6A3 Q01959 2/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PDE10A Q9Y233 1/20 0.34
FFAR1 O14842 1/20 0.33
MAPK1 P28482 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
SCHEMBL24543429 0.86 ALDH1A1 (0.39) RAB9AALDH1A1KMT2ATSHRPOLB
SCHEMBL22491754 0.84 RAB9A (0.40) RAB9AALDH1A1KMT2ATSHRTHRB
SCHEMBL296739 0.84 RAB9A (0.40) RAB9AALDH1A1KMT2ATSHRTHRB
SCHEMBL15320257 0.84 RAB9A (0.40) RAB9AALDH1A1KMT2AMEN1FFAR1
SCHEMBL16534919 0.80 UGT2B17 (0.42) RAB9AALDH1A1KMT2ATSHRPOLB
SCHEMBL16535044 0.78 TSHR (0.39) RAB9AALDH1A1KMT2ATSHRTHRB
SCHEMBL2730679 0.77 TSHR (0.34) RAB9AALDH1A1KMT2ATSHRMEN1
SCHEMBL16534632 0.76 POLL (0.38) ALDH1A1TSHRGAACYP2C19CYP2C9
SCHEMBL16534633 0.76 POLL (0.38) ALDH1A1TSHRGAACYP2C19CYP2C9
SCHEMBL22491683 0.75 ADRA2A (0.45) ALDH1A1KMT2ATSHRMEN1CYP2C19

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 RAB9A 1570/4885ALDH1A1 465/4885KMT2A 2094/4885

“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.