SCHEMBL23524246

SCHEMBL23524246

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 7/20 0.49
▸ TSHR P16473 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TP53 P04637 3/20 0.48
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ GRM5 P41594 3/20 0.41
▸ MITF O75030 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39

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
SCHEMBL23524197 0.90 CNR1 (0.48) NPC1RAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL30355549 0.89 GAA (0.54) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL23524132 0.89 GAA (0.54) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL23523878 0.88 TPH1 (0.43) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL30355380 0.88 TPH1 (0.43) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL25856979 0.88 S1PR1 (0.42) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL30355598 0.87 NPC1 (0.57) NPC1RAB9AMAPTTSHRSMN1; SMN2
SCHEMBL23524021 0.87 NPC1 (0.57) NPC1RAB9AMAPTTSHRSMN1; SMN2
SCHEMBL30355721 0.85 CNR1 (0.53) NPC1RAB9AL3MBTL1MAPTTSHR
SCHEMBL23523834 0.85 CNR1 (0.53) NPC1RAB9AL3MBTL1MAPTTSHR

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 3056/4885L3MBTL1 3606/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 311/4885RAB9A 2056/4885L3MBTL1 4078/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885L3MBTL1 3606/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885L3MBTL1 3606/4885

“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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