SCHEMBL20587483

SCHEMBL20587483

CC(C)n1nnc2cc(C(N)=S)ccc21

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 11/20 0.67
HPGD P15428 4/20 0.67
HCAR2 Q8TDS4 1/20 0.67
HTT P42858 1/20 0.39
NAMPT P43490 1/20 0.39
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
PARP1 P09874 1/20 0.35
ALOX5AP P20292 1/20 0.35

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
SCHEMBL20588071 0.85 HCAR3 (0.76) HCAR3HPGDHCAR2NAMPTPOLB
SCHEMBL23558529 0.85 HCAR3 (0.67) HCAR3HPGDHCAR2NAMPTPOLB
SCHEMBL10242669 0.80 HCAR3 (0.78) HCAR3HPGDHCAR2POLBMAPT
SCHEMBL1020492 0.79 HCAR3 (0.76) HCAR3HPGDHCAR2NAMPTPOLB
SCHEMBL29673286 0.78 HCAR3 (0.70) HCAR3HPGDHCAR2POLBMAPT
SCHEMBL20587465 0.78 HCAR3 (0.70) HCAR3HPGDHCAR2POLBMAPT
SCHEMBL20587471 0.77 HCAR3 (0.72) HCAR3HPGDHCAR2POLBMAPT
SCHEMBL31304538 0.76 HCAR3 (0.58) HCAR3HPGDHCAR2HTTPOLB
SCHEMBL13322638 0.76 HCAR3 (0.58) HCAR3HPGDHCAR2HTTPOLB
SCHEMBL9525250 0.74 HCAR3 (0.68) HCAR3HPGDHCAR2POLBMAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585360-B Methods of using the same for treating epilepsy 特维娜有限公司 2025-04-29 CN 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-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 HCAR3 291/4885HPGD 3374/4885HCAR2 286/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 HCAR3 203/4885HPGD 2590/4885HCAR2 80/4885
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.