SCHEMBL23523733

SCHEMBL23523733

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc(C(N)=O)cc4)no3)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ S1PR1 P21453 2/20 0.42
▸ TPH1 P17752 5/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ RARA P10276 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30355583 1.00 NPC1 (0.47) NPC1RAB9AS1PR1TPH1NR1H4
SCHEMBL23523881 0.90 S1PR1 (0.44) NPC1RAB9AS1PR1NR1H4MAPT
SCHEMBL30355650 0.90 S1PR1 (0.44) NPC1RAB9AS1PR1NR1H4MAPT
SCHEMBL30355740 0.89 MAPT (0.43) NPC1RAB9AS1PR1TPH1KDM4E
SCHEMBL23523721 0.89 NPC1 (0.38) NPC1RAB9AS1PR1KDM4EMAPT
SCHEMBL23523871 0.89 MAPT (0.43) NPC1RAB9AS1PR1TPH1KDM4E
SCHEMBL30355597 0.88 HDAC4 (0.43) S1PR1TPH1RARARARBRARG
SCHEMBL23524326 0.88 PLK1 (0.46) S1PR1RARARARBRARGKDM4E
SCHEMBL23524409 0.88 HDAC4 (0.43) S1PR1TPH1RARARARBRARG
SCHEMBL30355572 0.88 PLK1 (0.46) S1PR1RARARARBRARGKDM4E

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 3056/4885S1PR1 1/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 311/4885RAB9A 2056/4885S1PR1 1/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885S1PR1 1/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885S1PR1 1/4885

“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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