SCHEMBL20587453

SCHEMBL20587453

CCC1(CC)CC(=O)c2cc(-c3nc(-c4cn[nH]c4)no3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 9/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ S1PR3 Q99500 3/20 0.34
▸ ALOX5AP P20292 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL23523985 0.86 CNR1 (0.38) S1PR1CNR1CNR2NPC1RAB9A
SCHEMBL30355403 0.86 CNR1 (0.38) S1PR1CNR1CNR2NPC1RAB9A
SCHEMBL30355719 0.86 S1PR1 (0.51) S1PR1ACACBS1PR3ALOX5APMAOB
SCHEMBL23523950 0.86 S1PR1 (0.51) S1PR1ACACBS1PR3ALOX5APMAOB
SCHEMBL23524213 0.85 PPARA (0.38) S1PR1CNR1CNR2NPC1RAB9A
SCHEMBL23523716 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30355571 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30355741 0.84 MAPT (0.54) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23524290 0.84 MAPT (0.54) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23524003 0.84 S1PR1 (0.47) S1PR1NPC1RAB9ASMN1; SMN2ALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317728-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS TREVENA, INC. 2024-09-26 — — 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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-11884655-B2 Compounds and methods of preparing compounds S1P1 modulators TREVENA, INC. (US) 2024-01-30 — — 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
EP-4061352-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS Trevena, Inc. (US) 2022-09-28 — — EP 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
WO-2021101854-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS TREVENA, INC. (US) 2021-05-27 — — WO disclosed
WO-2021101854-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS TREVENA, INC. (US) 2021-05-27 — — WO disclosed
US-20210147402-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS TREVENA, INC. 2021-05-20 — — US disclosed
US-20210147402-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS TREVENA, INC. 2021-05-20 — — US disclosed
WO-2021046183-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. (US) 2021-03-11 — — WO disclosed
EP-3638235-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME Trevena, Inc. (US) 2020-04-22 — — EP disclosed
CN-110831593-A Compounds for modulating S1P1 activity and methods of use thereof 特维娜有限公司 2020-02-21 — — CN disclosed
WO-2018231745-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. (US) 2018-12-20 — — 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 (7 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-20240317728-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885CNR1 29/4885CNR2 71/4885
US-11884655-B2 Compounds and methods of preparing compounds S1P1 modulators S1PR1, S1PR2, S1PR5 S1PR1 1/4885CNR1 29/4885CNR2 71/4885
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885CNR1 20/4885CNR2 38/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885CNR1 10/4885CNR2 13/4885
US-20210147402-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885CNR1 29/4885CNR2 71/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885CNR1 20/4885CNR2 38/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885CNR1 20/4885CNR2 38/4885

“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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