SCHEMBL23523989

SCHEMBL23523989

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ S1PR1 P21453 5/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ S1PR3 Q99500 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL27100014 0.92 CNR1 (0.36) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL23523716 0.89 NPC1 (0.43) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL30355571 0.89 NPC1 (0.43) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL23524003 0.88 S1PR1 (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL23523871 0.88 MAPT (0.43) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL30355740 0.88 MAPT (0.43) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL23524197 0.88 CNR1 (0.48) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL23523721 0.88 NPC1 (0.38) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL23524409 0.87 HDAC4 (0.43) CNR1CNR2S1PR1
SCHEMBL30355597 0.87 HDAC4 (0.43) CNR1CNR2S1PR1

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