SCHEMBL2409319

SCHEMBL2409319

CC(C)Oc1ccc(-c2ncc(Br)cn2)cc1C#N

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 10/20 0.71
S1PR1 P21453 4/20 0.49
CYP2D6 P10635 1/20 0.49
S1PR3 Q99500 1/20 0.47

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
SCHEMBL23523942 0.83 XDH (0.67) XDHS1PR1CYP2D6
SCHEMBL23813101 0.81 XDH (0.68) XDHS1PR1S1PR3
SCHEMBL23523838 0.80 XDH (0.63) XDHS1PR1CYP2D6
SCHEMBL30355449 0.80 XDH (0.63) XDHS1PR1CYP2D6
SCHEMBL23523734 0.80 XDH (0.63) XDHS1PR1CYP2D6
SCHEMBL24862289 0.80 S1PR1 (0.47) XDHS1PR1CYP2D6
SCHEMBL23523851 0.79 XDH (0.65) XDHS1PR1CYP2D6
SCHEMBL30355410 0.79 XDH (0.61) XDHS1PR1CYP2D6S1PR3
SCHEMBL23524062 0.79 XDH (0.61) XDHS1PR1CYP2D6S1PR3
SCHEMBL30355422 0.79 XDH (0.65) XDHS1PR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
EP-4116294-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-01-11 EP disclosed
EP-3590929-B1 SPIRO COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC (CN) 2021-09-15 EP disclosed
EP-2547662-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2013-01-23 EP disclosed
US-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2013-01-10 US disclosed
US-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2013-01-10 US disclosed
US-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2013-01-10 US disclosed
WO-2011113309-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-09-22 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 (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-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF AZI2, GABBR2, CNDP2 XDH 303/4885S1PR1 379/4885CYP2D6 191/4885
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof AZI2, GABBR2, CNDP2 XDH 303/4885S1PR1 379/4885CYP2D6 191/4885
US-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 XDH 2603/4885S1PR1 1/4885CYP2D6 4337/4885

“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.