SCHEMBL3606701

SCHEMBL3606701

CC(C)(C)OC(=O)N1CCN2C(=O)N(c3ccccc3Cl)CC2C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.53
USP30 Q70CQ3 2/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
MAPT P10636 3/20 0.43
SIGMAR1 Q99720 1/20 0.42
CYBB P04839 1/20 0.42
NOX5 Q96PH1 1/20 0.42
NOX4 Q9NPH5 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
STS P08842 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.40
POLB P06746 2/20 0.40
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL3597649 0.87 SCN9A (0.53) SCN9AUSP30SMARCA2SMARCA4PBRM1
SCHEMBL3610026 0.85 SCN9A (0.51) SCN9AUSP30SMARCA2SMARCA4PBRM1
SCHEMBL3599625 0.85 SCN9A (0.51) SCN9AUSP30SMARCA2SMARCA4PBRM1
SCHEMBL3604813 0.84 USP30 (0.59) SCN9AUSP30SMARCA2SMARCA4PBRM1
SCHEMBL3609803 0.82 USP30 (0.52) SCN9AUSP30MEN1KMT2ASTS
SCHEMBL3606991 0.82 SCN9A (0.49) SCN9AUSP30MEN1KMT2ASMARCA2
SCHEMBL3605594 0.82 USP30 (0.61) SCN9AUSP30MAPTSTSPOLB
SCHEMBL3608564 0.82 USP30 (0.54) SCN9AUSP30MEN1KMT2ASMARCA2
SCHEMBL31248191 0.80 USP30 (0.46) SCN9AUSP30MEN1KMT2ASMARCA2
SCHEMBL31248211 0.80 USP30 (0.46) SCN9AUSP30MEN1KMT2ASMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP 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-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A SCN9A 1132/4885USP30 4815/4885MEN1 1716/4885

“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.