SCHEMBL30355523

SCHEMBL30355523

CCC1(CC)CC(=O)c2cc(-c3ncc(-c4ccccn4)cn3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CHEK2 O96017 1/20 0.36
▸ CTSD P07339 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ TNKS O95271 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ ADRA1D P25100 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GLA P06280 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TAOK1 Q7L7X3 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL23523754 1.00 CNR2 (0.39) CNR2CNR1CHEK2CTSDBACE1
SCHEMBL23524277 0.84 EPHX2 (0.39) CNR2CNR1CHEK2CTSDBACE1
SCHEMBL30355551 0.84 EPHX2 (0.39) CNR2CNR1CHEK2CTSDBACE1
SCHEMBL30355383 0.83 KDM4E (0.41) CNR2CNR1CHEK2CTSDBACE1
SCHEMBL23524242 0.83 KDM4E (0.41) CNR2CNR1CHEK2CTSDBACE1
SCHEMBL23523720 0.83 PKM (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL30355399 0.83 PKM (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL23523895 0.82 MAPT (0.36) CNR2CNR1KDM4EALDH1A1GLA
SCHEMBL30355467 0.82 MAPT (0.36) CNR2CNR1KDM4EALDH1A1GLA
SCHEMBL23524423 0.82 CNR1 (0.40) CNR2CNR1CTSDBACE1KDM4E

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 3 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-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

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 CNR2 38/4885CNR1 20/4885CHEK2 3269/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CNR2 13/4885CNR1 10/4885CHEK2 4669/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CNR2 38/4885CNR1 20/4885CHEK2 3269/4885

“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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