SCHEMBL30355759

SCHEMBL30355759

C=CCNc1ccc(-c2nc(-c3ccc4[nH]nnc4c3)no2)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 16/20 0.36
▸ S1PR3 Q99500 5/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ MAPT P10636 1/20 0.32

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
SCHEMBL23523944 1.00 S1PR1 (0.36) S1PR1S1PR3L3MBTL1KCNH2MAPT
SCHEMBL23524372 0.85 PSMD11 (0.42) S1PR1S1PR3KCNH2
SCHEMBL30355611 0.85 PSMD11 (0.42) S1PR1S1PR3KCNH2
SCHEMBL30355473 0.84 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL23523996 0.84 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL20588060 0.84 S1PR1 (0.49) S1PR1S1PR3L3MBTL1
SCHEMBL30355388 0.84 S1PR1 (0.49) S1PR1S1PR3L3MBTL1
SCHEMBL23524010 0.83 S1PR1 (0.39) S1PR1S1PR3L3MBTL1KCNH2MAPT
SCHEMBL30355717 0.83 S1PR1 (0.39) S1PR1S1PR3L3MBTL1KCNH2MAPT
SCHEMBL23524416 0.80 CDC7 (0.41) S1PR1S1PR3L3MBTL1MAPT

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 S1PR1 1/4885S1PR3 3/4885L3MBTL1 3606/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885L3MBTL1 4078/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885L3MBTL1 3606/4885

“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.

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