SCHEMBL30355665

SCHEMBL30355665

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc5[nH]c(=O)oc5c4)no3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ CDC7 O00311 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ DBF4 Q9UBU7 1/20 0.36
▸ S1PR1 P21453 6/20 0.35
▸ S1PR3 Q99500 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ NOS1 P29475 1/20 0.33
▸ PPM1D O15297 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TP53 P04637 1/20 0.32

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
SCHEMBL23524057 1.00 PDE3B (0.37) PDE3BPDE3ACDC7CCNE1CDK2
SCHEMBL23524187 0.86 S1PR1 (0.38) S1PR1S1PR3MAPTCNR1CNR2
SCHEMBL30355748 0.86 S1PR1 (0.38) S1PR1S1PR3MAPTCNR1CNR2
SCHEMBL23558300 0.85 PPM1D (0.37) PDE3BPDE3ACDC7CCNE1CDK2
SCHEMBL23523950 0.83 S1PR1 (0.51) CDK2S1PR1S1PR3
SCHEMBL30355719 0.83 S1PR1 (0.51) CDK2S1PR1S1PR3
SCHEMBL23524424 0.82 PSMD11 (0.41) S1PR1S1PR3CNR1CNR2
SCHEMBL30355571 0.81 NPC1 (0.43) MAPTGAATP53
SCHEMBL23523716 0.81 NPC1 (0.43) MAPTGAATP53
SCHEMBL20587453 0.81 S1PR1 (0.38) S1PR1S1PR3MAPTCNR1CNR2

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 PDE3B 359/4885PDE3A 362/4885CDC7 3341/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 PDE3B 564/4885PDE3A 425/4885CDC7 4702/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 PDE3B 359/4885PDE3A 362/4885CDC7 3341/4885

“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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