SCHEMBL30355449

SCHEMBL30355449

CC(C)Oc1ccc(-c2ncc(-c3ccccn3)cn2)cc1C#N

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.63
S1PR1 P21453 4/20 0.49
CYP2D6 P10635 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL23523838 1.00 XDH (0.63) XDHS1PR1CYP2D6TRPM8
SCHEMBL23523942 0.82 XDH (0.67) XDHS1PR1CYP2D6
SCHEMBL23523734 0.81 XDH (0.63) XDHS1PR1CYP2D6
SCHEMBL23524062 0.81 XDH (0.61) XDHS1PR1CYP2D6
SCHEMBL30355422 0.81 XDH (0.65) XDHS1PR1CYP2D6
SCHEMBL23523851 0.81 XDH (0.65) XDHS1PR1CYP2D6
SCHEMBL30355410 0.81 XDH (0.61) XDHS1PR1CYP2D6
SCHEMBL2409319 0.80 XDH (0.71) XDHS1PR1CYP2D6
SCHEMBL23524370 0.79 MAPT (0.44) XDHTRPM8
SCHEMBL30355694 0.79 MAPT (0.44) XDHTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 XDH 4416/4885S1PR1 1/4885CYP2D6 4598/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 XDH 3320/4885S1PR1 1/4885CYP2D6 4320/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 XDH 4416/4885S1PR1 1/4885CYP2D6 4598/4885

“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.