SCHEMBL30355778

SCHEMBL30355778

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc5c(c4)CCC(=O)N5)no3)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.43
▸ S1PR3 Q99500 1/20 0.42
▸ MAPT P10636 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ CYP11B1 P15538 3/20 0.38
▸ CYP11B2 P19099 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 2/20 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
SCHEMBL23524097 1.00 S1PR1 (0.43) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL23523995 0.92 S1PR1 (0.50) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL30355418 0.92 S1PR1 (0.50) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL23523716 0.81 NPC1 (0.43) MAPTNPC1RAB9ACYP2C9KDM4E
SCHEMBL30355571 0.81 NPC1 (0.43) MAPTNPC1RAB9ACYP2C9KDM4E
SCHEMBL23523950 0.81 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL30355719 0.81 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL23524003 0.81 S1PR1 (0.47) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL23523871 0.81 MAPT (0.43) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL23524197 0.81 CNR1 (0.48) MAPTNPC1RAB9AKDM4ECYP2C19

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 S1PR1 1/4885S1PR3 3/4885MAPT 3799/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885MAPT 1551/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885MAPT 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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