SCHEMBL30355553

SCHEMBL30355553

CC(C)Nc1ccc(-c2nnc(-c3ccc4c(c3)CCC(=O)N4)o2)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP11B1 P15538 3/20 0.39
▸ CYP11B2 P19099 3/20 0.39
▸ PDE3B Q13370 3/20 0.39
▸ PDE3A Q14432 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ TBXAS1 P24557 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ DBF4 Q9UBU7 1/20 0.39
▸ KIF11 P52732 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL23523765 1.00 MAPT (0.40) MAPTNPC1MMP12RAB9ACYP11B1
SCHEMBL23524432 0.88 S1PR1 (0.47) MAPTNPC1MMP12RAB9AKCNH2
SCHEMBL23069701 0.86 CDK2 (0.40) MAPTNPC1MMP12RAB9ACYP11B1
SCHEMBL23524329 0.83 CDK2 (0.41) MAPTNPC1MMP12RAB9ACYP11B1
SCHEMBL23524126 0.82 CDC7 (0.42) MAPTNPC1MMP12RAB9ACYP11B1
SCHEMBL23524015 0.82 CDC7 (0.42) MAPTNPC1MMP12RAB9ACYP11B1
SCHEMBL23558562 0.81 CDC7 (0.41) MAPTNPC1MMP12RAB9ACYP11B1
SCHEMBL23524412 0.81 S1PR1 (0.48) KCNH2POLB
SCHEMBL30355574 0.81 S1PR1 (0.48) KCNH2POLB
SCHEMBL23523860 0.79 S1PR1 (0.46) KCNH2POLBPGR

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 MAPT 3799/4885NPC1 301/4885MMP12 1952/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 MAPT 1551/4885NPC1 311/4885MMP12 2733/4885
US-11912693-B2 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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