SCHEMBL12530278

SCHEMBL12530278

CC(C)OCc1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.57
CYSLTR2 Q9NS75 3/20 0.57
CYP1A2 P05177 1/20 0.53
GPBAR1 Q8TDU6 8/20 0.51
PDE10A Q9Y233 2/20 0.49

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
SCHEMBL238787 0.79 CYSLTR1 (0.62) CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A
SCHEMBL30824506 0.79 CYSLTR1 (0.62) CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A
SCHEMBL2353460 0.79 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9844656 0.77 CYSLTR1 (0.55) CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A
SCHEMBL30718634 0.77 BACE1 (0.45) CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A
SCHEMBL7504609 0.77 CYSLTR1 (0.55) CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A
SCHEMBL8557157 0.77 CYP1A2 (0.51) CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A
SCHEMBL14508065 0.77 KCNH2 (0.47) CYSLTR1GPBAR1
SCHEMBL4268808 0.76 CYSLTR1 (0.59) CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A
SCHEMBL13118218 0.76 CYP1A2 (0.54) CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814040-B The condensed 1,4- dihydro two of inhibitor as thermal excited transcryption factor 1 dislikes ene derivative 癌症研究科技有限公司 2019-07-30 CN disclosed
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 US disclosed
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 US disclosed
US-20110160196-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20110160196-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20080293704-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2008-11-27 US 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 (3 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-20080293704-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 CYSLTR1 2655/4885CYSLTR2 2948/4885CYP1A2 234/4885
US-20110160196-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CYSLTR1 2655/4885CYSLTR2 2948/4885CYP1A2 234/4885
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX CYSLTR1 93/4885CYSLTR2 44/4885CYP1A2 387/4885

“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.