SCHEMBL23084622

SCHEMBL23084622

N#Cc1cc(-c2nc(-c3ccc4c(c3)CC(=O)N4)no2)ccc1NCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.44
▸ CDC7 O00311 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ DBF4 Q9UBU7 1/20 0.43
▸ CPT2 P23786 4/20 0.39
▸ CPT1A P50416 4/20 0.39
▸ CPT1B Q92523 2/20 0.39
▸ PGR P06401 2/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ PTK2B Q14289 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36

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
SCHEMBL29771163 1.00 S1PR1 (0.44) S1PR1CDC7CCNE1CDK2DBF4
SCHEMBL23524322 0.93 S1PR1 (0.52) S1PR1CPT1AS1PR3TP53POLB
SCHEMBL30355471 0.93 S1PR1 (0.52) S1PR1CPT1AS1PR3TP53POLB
SCHEMBL23524125 0.92 S1PR1 (0.40) S1PR1S1PR3TP53POLB
SCHEMBL23524098 0.88 S1PR1 (0.44) S1PR1S1PR3TP53POLB
SCHEMBL30355761 0.88 S1PR1 (0.44) S1PR1S1PR3TP53POLB
SCHEMBL23524349 0.86 S1PR1 (0.44) S1PR1CDC7CCNE1CDK2DBF4
SCHEMBL29673320 0.85 S1PR1 (0.36) S1PR1S1PR3TP53POLB
SCHEMBL20588063 0.83 S1PR1 (0.47) S1PR1CDC7CCNE1CDK2DBF4
SCHEMBL23523860 0.83 S1PR1 (0.46) S1PR1PGRTBK1S1PR3POLB

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 10 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-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
WO-2021046183-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. (US) 2021-03-11 — — WO 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

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 1/4885CDC7 3341/4885CCNE1 4355/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885CDC7 4702/4885CCNE1 4795/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885CDC7 3341/4885CCNE1 4355/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885CDC7 3341/4885CCNE1 4355/4885

“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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