SCHEMBL23524132

SCHEMBL23524132

CCC1(CC)CC(=O)c2cc(-c3nc(-c4cccc(C)c4)no3)ccc2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.54
▸ NPC1 O15118 8/20 0.48
▸ RAB9A P51151 8/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ TP53 P04637 3/20 0.48
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43

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
SCHEMBL30355549 1.00 GAA (0.54) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23523716 0.90 NPC1 (0.43) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30355571 0.90 NPC1 (0.43) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30355380 0.89 TPH1 (0.43) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23523878 0.89 TPH1 (0.43) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL25856979 0.89 S1PR1 (0.42) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23524246 0.89 NPC1 (0.50) GAANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL23524021 0.87 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HSD17B10TSHR
SCHEMBL30355598 0.87 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HSD17B10TSHR
SCHEMBL23524217 0.87 S1PR1 (0.46) GAANPC1RAB9ASMN1; SMN2KDM4E

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 8 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

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 GAA 3859/4885NPC1 301/4885RAB9A 3056/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 GAA 2241/4885NPC1 311/4885RAB9A 2056/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 GAA 3859/4885NPC1 301/4885RAB9A 3056/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 GAA 3859/4885NPC1 301/4885RAB9A 3056/4885

“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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