SCHEMBL23524217

SCHEMBL23524217

CCC1(CC)CC(=O)c2cc(-c3noc(-c4cncc(C)c4)n3)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.46
▸ S1PR3 Q99500 2/20 0.46
▸ GAA P10253 2/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 6/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 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
SCHEMBL30355746 0.96 S1PR1 (0.51) S1PR1S1PR3GAACNR1CNR2
SCHEMBL23524283 0.96 S1PR1 (0.51) S1PR1S1PR3GAACNR1CNR2
SCHEMBL23524195 0.89 CNR1 (0.37) S1PR1S1PR3CNR1CNR2SMN1; SMN2
SCHEMBL30355671 0.89 CNR1 (0.37) S1PR1S1PR3GAACNR1CNR2
SCHEMBL23524320 0.89 CNR1 (0.37) S1PR1S1PR3CNR1CNR2SMN1; SMN2
SCHEMBL23524147 0.89 CNR1 (0.37) S1PR1S1PR3GAACNR1CNR2
SCHEMBL30355403 0.88 CNR1 (0.38) S1PR1S1PR3GAACNR1CNR2
SCHEMBL23523985 0.88 CNR1 (0.38) S1PR1S1PR3GAACNR1CNR2
SCHEMBL23524132 0.87 GAA (0.54) GAASMN1; SMN2TP53ALDH1A1NFKB1
SCHEMBL30355549 0.87 GAA (0.54) GAASMN1; SMN2TP53ALDH1A1NFKB1

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 S1PR1 1/4885S1PR3 3/4885GAA 3859/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885GAA 2241/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885GAA 3859/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885GAA 3859/4885

“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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