SCHEMBL30355467

SCHEMBL30355467

CCC1(CC)CC(=O)c2cc(-c3ncc(-c4ccnc(O)c4)cn3)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ KDM4E B2RXH2 8/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ GAA P10253 5/20 0.33
▸ HPGD P15428 5/20 0.33
▸ CASP1 P29466 4/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ GLA P06280 4/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ ACACB O00763 3/20 0.32
▸ RAD52 P43351 1/20 0.31
▸ ATM Q13315 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
SCHEMBL23523895 1.00 MAPT (0.36) MAPTCNR1CNR2KDM4EALDH1A1
SCHEMBL23524277 0.87 EPHX2 (0.39) MAPTCNR1CNR2KDM4EALDH1A1
SCHEMBL30355551 0.87 EPHX2 (0.39) MAPTCNR1CNR2KDM4EALDH1A1
SCHEMBL30355756 0.85 S1PR1 (0.43) MAPTCNR1CNR2ALDH1A1HPGD
SCHEMBL23524282 0.85 S1PR1 (0.43) MAPTCNR1CNR2ALDH1A1HPGD
SCHEMBL23523754 0.82 CNR2 (0.39) MAPTCNR1CNR2KDM4EALDH1A1
SCHEMBL30355523 0.82 CNR2 (0.39) MAPTCNR1CNR2KDM4EALDH1A1
SCHEMBL23524242 0.82 KDM4E (0.41) CNR1CNR2KDM4EALDH1A1GAA
SCHEMBL30355383 0.82 KDM4E (0.41) CNR1CNR2KDM4EALDH1A1GAA
SCHEMBL23524423 0.77 CNR1 (0.40) CNR1CNR2KDM4EALDH1A1GAA

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