SCHEMBL20587451

SCHEMBL20587451

COc1ccccc1-c1noc(-c2ccc3c(c2)nnn3C(C)C)n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
RAB9A P51151 4/20 0.60
HSD17B10 Q99714 4/20 0.60
ALDH1A1 P00352 3/20 0.60
NPC1 O15118 3/20 0.60
KDM4E B2RXH2 3/20 0.60
TSHR P16473 2/20 0.60
HPGD P15428 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
S1PR1 P21453 9/20 0.55
TP53 P04637 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RXFP1 Q9HBX9 2/20 0.50
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
POLB P06746 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48

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
SCHEMBL29673275 1.00 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AHSD17B10ALDH1A1NPC1
SCHEMBL27100928 0.92 ALDH1A1 (0.48) SMN1; SMN2RAB9AHSD17B10ALDH1A1NPC1
SCHEMBL30355396 0.92 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AHSD17B10ALDH1A1NPC1
SCHEMBL23524407 0.92 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AHSD17B10ALDH1A1NPC1
SCHEMBL30355594 0.91 ALDH1A1 (0.47) SMN1; SMN2RAB9AHSD17B10ALDH1A1NPC1
SCHEMBL23524084 0.91 ALDH1A1 (0.47) SMN1; SMN2RAB9AHSD17B10ALDH1A1NPC1
SCHEMBL23524303 0.89 NPC1 (0.45) SMN1; SMN2RAB9AHSD17B10ALDH1A1NPC1
SCHEMBL23524321 0.89 TSHR (0.48) SMN1; SMN2RAB9AHSD17B10ALDH1A1NPC1
SCHEMBL23524411 0.89 S1PR1 (0.58) SMN1; SMN2RAB9AHSD17B10ALDH1A1NPC1
SCHEMBL30355682 0.89 TSHR (0.48) SMN1; SMN2RAB9AHSD17B10ALDH1A1NPC1

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 16 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
EP-4025211-A1 METHODS OF TREATING EPILEPSY USING THE SAME Trevena, Inc. (US) 2022-07-13 EP disclosed
CN-114585360-A Methods of using the same for the treatment of epilepsy 特维娜有限公司 2022-06-03 CN 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-2021046183-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. (US) 2021-03-11 WO 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 (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 SMN1; SMN2 1320/4885RAB9A 3056/4885HSD17B10 3702/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 SMN1; SMN2 619/4885RAB9A 2056/4885HSD17B10 1746/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 SMN1; SMN2 1320/4885RAB9A 3056/4885HSD17B10 3702/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 SMN1; SMN2 1320/4885RAB9A 3056/4885HSD17B10 3702/4885

“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.