SCHEMBL25857475

SCHEMBL25857475

CCC1(CC)CC(=O)c2cc(-c3nc(Br)ns3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 7/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ ATM Q13315 3/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ GAA P10253 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ CASP1 P29466 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GLA P06280 2/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HDAC3 O15379 2/20 0.31
▸ HDAC4 P56524 2/20 0.31

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
SCHEMBL25857478 0.88 CNR1 (0.39) CNR1CNR2MAPTKDM4EAKT1
SCHEMBL23524247 0.80 CYP19A1 (0.48) CNR1CNR2MAPTKDM4EALDH1A1
SCHEMBL30355477 0.80 CYP19A1 (0.48) CNR1CNR2MAPTKDM4EALDH1A1
SCHEMBL23523990 0.79 CNR1 (0.40) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL30355512 0.79 CNR1 (0.40) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL25857476 0.79 CNR1 (0.39) CNR1CNR2MAPTKDM4EATM
SCHEMBL30355352 0.78 CYP19A1 (0.48) CNR1CNR2MAPTKDM4EALDH1A1
SCHEMBL23524038 0.78 CYP19A1 (0.48) CNR1CNR2MAPTKDM4EALDH1A1
SCHEMBL20587128 0.75 MAPT (0.47) CNR1CNR2MAPTKDM4EAKT1
SCHEMBL29673243 0.75 MAPT (0.47) CNR1CNR2MAPTKDM4EAKT1

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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 (2 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 CNR1 20/4885CNR2 38/4885MAPT 3799/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885MAPT 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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