SCHEMBL30355603

SCHEMBL30355603

CCC1(CC)CC(=O)c2cc(-c3nnc(-c4cncc(C)c4)s3)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ATM Q13315 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAD52 P43351 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL23524355 1.00 KDM4E (0.35) KDM4ECNR1CNR2ATMHTT
SCHEMBL23523796 0.86 ALDH1A1 (0.39) KDM4ECNR1CNR2HTTRAB9A
SCHEMBL30355765 0.86 ALDH1A1 (0.39) KDM4ECNR1CNR2HTTRAB9A
SCHEMBL30355746 0.80 S1PR1 (0.51) KDM4ECNR1CNR2RAB9AMAPT
SCHEMBL23523829 0.80 CNR1 (0.38) KDM4ECNR1CNR2ATMHTT
SCHEMBL30355653 0.80 CNR1 (0.38) KDM4ECNR1CNR2ATMHTT
SCHEMBL23524217 0.80 S1PR1 (0.46) KDM4ECNR1CNR2HTTRAB9A
SCHEMBL23524283 0.80 S1PR1 (0.51) KDM4ECNR1CNR2RAB9AMAPT
SCHEMBL23523858 0.79 CNR1 (0.34) KDM4ECNR1CNR2ATMRAD52
SCHEMBL30355462 0.79 CNR1 (0.34) KDM4ECNR1CNR2ATMRAD52

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 KDM4E 2644/4885CNR1 20/4885CNR2 38/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 KDM4E 1123/4885CNR1 10/4885CNR2 13/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 KDM4E 2644/4885CNR1 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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