SCHEMBL23523830

SCHEMBL23523830

Cc1ccccc1-c1noc(-c2ccc3c(c2)CCC(=O)N3C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.52
CYP11B2 P19099 4/20 0.52
MAPT P10636 3/20 0.51
NR1H4 Q96RI1 3/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 2/20 0.50
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP17A1 P05093 1/20 0.48
CYP19A1 P11511 1/20 0.48
RXFP1 Q9HBX9 2/20 0.48

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
SCHEMBL30355386 1.00 CYP11B1 (0.52) CYP11B1CYP11B2MAPTNR1H4NPC1
SCHEMBL23523757 0.80 CYP11B1 (0.71) CYP11B1CYP11B2MAPTNPC1SMN1; SMN2
SCHEMBL30355559 0.80 CYP11B1 (0.71) CYP11B1CYP11B2MAPTNPC1SMN1; SMN2
SCHEMBL23524119 0.77 GRIA1 (0.53) CYP11B1CYP11B2MAPTNR1H4NPC1
SCHEMBL30355544 0.77 GRIA1 (0.53) CYP11B1CYP11B2MAPTNR1H4NPC1
SCHEMBL28889005 0.73 S1PR1 (0.58) MAPTNR1H4NPC1SMN1; SMN2CYP1A2
SCHEMBL21485722 0.70 NPC1 (0.77) MAPTNR1H4NPC1SMN1; SMN2CYP1A2
SCHEMBL23524053 0.70 CYP11B1 (0.57) CYP11B1CYP11B2MAPTNPC1SMN1; SMN2
SCHEMBL30355788 0.70 CYP11B1 (0.57) CYP11B1CYP11B2MAPTNPC1SMN1; SMN2
SCHEMBL23558396 0.69 NPC1 (0.55) MAPTNR1H4NPC1SMN1; SMN2CYP1A2

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 9 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-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
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
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 CYP11B1 1869/4885CYP11B2 2298/4885MAPT 3799/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CYP11B1 980/4885CYP11B2 1055/4885MAPT 1551/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CYP11B1 1869/4885CYP11B2 2298/4885MAPT 3799/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CYP11B1 1869/4885CYP11B2 2298/4885MAPT 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.