SCHEMBL23524064

SCHEMBL23524064

CCC1(CC)CC(=O)c2cc(-c3noc(-c4cccnc4F)n3)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ BACE1 P56817 5/20 0.36
▸ MAOA P21397 1/20 0.36
▸ BLVRB P30043 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CTSD P07339 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TTR P02766 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPT P10636 5/20 0.34

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
SCHEMBL23524007 0.93 S1PR1 (0.41) CNR1CNR2BACE1CTSDS1PR1
SCHEMBL30355789 0.93 S1PR1 (0.41) CNR1CNR2BACE1CTSDS1PR1
SCHEMBL23524135 0.91 CNR1 (0.39) CNR1CNR2MAOABLVRBHDAC6
SCHEMBL23523862 0.88 CNR1 (0.39) CNR1CNR2BACE1MAOABLVRB
SCHEMBL23524167 0.87 NPC1 (0.38) CNR1CNR2S1PR1NPC1SMN1; SMN2
SCHEMBL30355589 0.86 S1PR1 (0.41) CNR1CNR2S1PR1NPC1SMN1; SMN2
SCHEMBL23523728 0.86 S1PR1 (0.41) CNR1CNR2S1PR1NPC1SMN1; SMN2
SCHEMBL25856896 0.84 MAPT (0.45) CNR1CNR2S1PR1NPC1SMN1; SMN2
SCHEMBL23524215 0.84 S1PR1 (0.40) CNR1CNR2S1PR1NPC1SMN1; SMN2
SCHEMBL30355362 0.84 S1PR1 (0.40) CNR1CNR2S1PR1NPC1SMN1; SMN2

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 9 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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — 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 (4 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 CNR1 20/4885CNR2 38/4885BACE1 519/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 10/4885CNR2 13/4885BACE1 196/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885BACE1 519/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885BACE1 519/4885

“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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