SCHEMBL25856997

SCHEMBL25856997

Cc1cc(-c2cc(-c3ccc4c(c3)CCC(=O)N4)no2)ccc1CCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP11B1 P15538 3/20 0.38
▸ CYP11B2 P19099 3/20 0.38
▸ PDE3B Q13370 3/20 0.38
▸ PDE3A Q14432 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ TBXAS1 P24557 2/20 0.38
▸ KIF11 P52732 2/20 0.37
▸ KDM5B Q9UGL1 1/20 0.36
▸ AKT1 P31749 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
SCHEMBL25856996 0.88 MAPT (0.47) MAPTNPC1MMP12RAB9AMEN1
SCHEMBL25856999 0.84 MAPT (0.56) MAPTNPC1MMP12RAB9AMEN1
SCHEMBL25857004 0.82 MAPT (0.46) MAPTNPC1MMP12RAB9AMEN1
SCHEMBL23558362 0.75 MAPT (0.51) MAPTNPC1MMP12RAB9AMEN1
SCHEMBL23558382 0.73 MAPT (0.42) MAPTNPC1MMP12RAB9AMEN1
SCHEMBL25864764 0.71 MAPT (0.42) MAPTNPC1MMP12RAB9AMEN1
SCHEMBL23558386 0.71 MAPT (0.44) MAPTNPC1MMP12RAB9AMEN1
SCHEMBL25864758 0.70 MAPT (0.43) MAPTNPC1MMP12RAB9AMEN1
SCHEMBL4889006 0.66 KIF11 (0.57) MAPTNPC1MMP12RAB9AMEN1
SCHEMBL7314031 0.65 MAPT (1.00) MAPTNPC1MMP12RAB9AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 301/4885MMP12 1952/4885

“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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