SCHEMBL23084792

SCHEMBL23084792

CC(C)Cn1nnc2cc(C(=O)O)ccc21

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 19/20 0.72
HPGD P15428 1/20 0.63
HCAR2 Q8TDS4 1/20 0.63
APAF1 O14727 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL6685417 0.87 HCAR3 (0.65) HCAR3HPGDHCAR2APAF1POLB
SCHEMBL6044123 0.86 HCAR3 (0.73) HCAR3HPGDHCAR2
SCHEMBL6044277 0.84 HCAR3 (0.74) HCAR3HPGDHCAR2
SCHEMBL6044058 0.84 HCAR3 (1.00) HCAR3HPGDHCAR2POLB
SCHEMBL6696455 0.83 HCAR3 (0.64) HCAR3HPGDHCAR2
SCHEMBL27095771 0.82 HCAR3 (0.67) HCAR3HPGDHCAR2
SCHEMBL29897701 0.82 HCAR3 (0.67) HCAR3HPGDHCAR2
SCHEMBL6044508 0.81 HCAR3 (1.00) HCAR3HPGDHCAR2
SCHEMBL21728478 0.81 HCAR3 (0.73) HCAR3HPGDHCAR2
SCHEMBL4544128 0.81 HCAR3 (0.73) HCAR3HPGDHCAR2

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 6 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 HCAR3 291/4885HPGD 3374/4885HCAR2 286/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 HCAR3 291/4885HPGD 3374/4885HCAR2 286/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 HCAR3 291/4885HPGD 3374/4885HCAR2 286/4885

“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.