SCHEMBL23524320

SCHEMBL23524320

CCC1(CC)CC(=O)c2cc(-c3noc(-c4cncc(O)c4)n3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ S1PR1 P21453 6/20 0.36
▸ S1PR3 Q99500 1/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL23524369 0.96 S1PR1 (0.39) CNR1CNR2MAPTS1PR1S1PR3
SCHEMBL30355685 0.96 S1PR1 (0.39) CNR1CNR2MAPTS1PR1S1PR3
SCHEMBL23524217 0.89 S1PR1 (0.46) CNR1CNR2MAPTS1PR1S1PR3
SCHEMBL23524147 0.89 CNR1 (0.37) CNR1CNR2MAPTS1PR1S1PR3
SCHEMBL30355671 0.89 CNR1 (0.37) CNR1CNR2MAPTS1PR1S1PR3
SCHEMBL23524195 0.89 CNR1 (0.37) CNR1CNR2MAPTS1PR1S1PR3
SCHEMBL30355380 0.87 TPH1 (0.43) CNR1CNR2MAPTS1PR1S1PR3
SCHEMBL23523878 0.87 TPH1 (0.43) CNR1CNR2MAPTS1PR1S1PR3
SCHEMBL23523871 0.87 MAPT (0.43) CNR1CNR2MAPTS1PR1S1PR3
SCHEMBL23523985 0.87 CNR1 (0.38) CNR1CNR2MAPTS1PR1S1PR3

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 9 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
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

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 CNR1 20/4885CNR2 38/4885MAPT 3799/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 10/4885CNR2 13/4885MAPT 1551/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885MAPT 3799/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885MAPT 3799/4885

“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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