SCHEMBL29673244

SCHEMBL29673244

CCC1(CC)CC(=O)c2cc(-c3nc(-c4cccnc4O)no3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 13/20 0.41
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ NR1H4 Q96RI1 2/20 0.38
▸ S1PR3 Q99500 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ S1PR2 O95136 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL20588066 1.00 S1PR1 (0.41) S1PR1CNR1CNR2NR1H4S1PR3
SCHEMBL23523728 0.90 S1PR1 (0.41) S1PR1CNR1CNR2NR1H4S1PR3
SCHEMBL30355589 0.90 S1PR1 (0.41) S1PR1CNR1CNR2NR1H4S1PR3
SCHEMBL30355789 0.89 S1PR1 (0.41) S1PR1CNR1CNR2S1PR3NPC1
SCHEMBL23524007 0.89 S1PR1 (0.41) S1PR1CNR1CNR2S1PR3NPC1
SCHEMBL23524215 0.88 S1PR1 (0.40) S1PR1CNR1CNR2S1PR3NPC1
SCHEMBL30355362 0.88 S1PR1 (0.40) S1PR1CNR1CNR2S1PR3NPC1
SCHEMBL23523782 0.87 CASP3 (0.44) S1PR1CNR1CNR2NR1H4S1PR3
SCHEMBL30355558 0.87 CASP3 (0.44) S1PR1CNR1CNR2NR1H4S1PR3
SCHEMBL23524373 0.87 S1PR1 (0.42) S1PR1CNR1CNR2S1PR3NPC1

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
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-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

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 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-11912693-B2 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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