SCHEMBL23524021

SCHEMBL23524021

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.57
▸ RAB9A P51151 11/20 0.57
▸ MAPT P10636 6/20 0.57
▸ NFKB1 P19838 3/20 0.57
▸ NFKB2 Q00653 3/20 0.57
▸ RELA Q04206 3/20 0.57
▸ SMN1; SMN2 Q16637 8/20 0.52
▸ TP53 P04637 5/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ PIK3CD O00329 1/20 0.46
▸ PIK3CB P42338 1/20 0.46

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
SCHEMBL30355598 1.00 NPC1 (0.57) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL23524290 0.90 MAPT (0.54) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL30355741 0.90 MAPT (0.54) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL30355496 0.88 RAB9A (0.42) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL23524274 0.88 RAB9A (0.42) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL23524132 0.87 GAA (0.54) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL30355549 0.87 GAA (0.54) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL23523878 0.87 TPH1 (0.43) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL23524246 0.87 NPC1 (0.50) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL30355380 0.87 TPH1 (0.43) NPC1RAB9AMAPTNFKB1NFKB2

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 6 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-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 NPC1 301/4885RAB9A 3056/4885MAPT 3799/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 311/4885RAB9A 2056/4885MAPT 1551/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885MAPT 3799/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885MAPT 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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