SCHEMBL30355642

SCHEMBL30355642

O=C1CCc2cc(-c3nc(-c4cccnc4)no3)ccc2N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.70
CYP11B2 P19099 8/20 0.70
CYP1A2 P05177 3/20 0.70
CYP2C9 P11712 2/20 0.70
TBXAS1 P24557 1/20 0.70
PDE3B Q13370 1/20 0.70
PDE3A Q14432 1/20 0.70
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CYP19A1 P11511 3/20 0.55
CHRNB2 P17787 4/20 0.54
CHRNA5 P30532 4/20 0.54
CHRNA4 P43681 4/20 0.54
ALDH1A1 P00352 2/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL23524034 1.00 CYP11B1 (0.70) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL1119375 0.83 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL30355790 0.83 CYP11B1 (0.62) CYP11B1CYP11B2NPC1RAB9ACHRNB2
SCHEMBL23524155 0.83 CYP11B1 (0.62) CYP11B1CYP11B2NPC1RAB9ACHRNB2
SCHEMBL23558388 0.78 CYP11B1 (0.49) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL23524119 0.78 GRIA1 (0.53) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL30355544 0.78 GRIA1 (0.53) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL23523757 0.76 CYP11B1 (0.71) CYP11B1CYP11B2CYP1A2NPC1RAB9A
SCHEMBL30355559 0.76 CYP11B1 (0.71) CYP11B1CYP11B2CYP1A2NPC1RAB9A
SCHEMBL1879799 0.76 CYP11B1 (0.85) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1

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 CYP11B1 1869/4885CYP11B2 2298/4885CYP1A2 4278/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CYP11B1 980/4885CYP11B2 1055/4885CYP1A2 2753/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CYP11B1 1869/4885CYP11B2 2298/4885CYP1A2 4278/4885

“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.