SCHEMBL3608099

SCHEMBL3608099

Cc1cc(N2CC3CN(C(=O)OC(C)(C)C)CCN3C2=O)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.53
SCN9A Q15858 1/20 0.47
GPR119 Q8TDV5 3/20 0.39
ADAMTS5 Q9UNA0 2/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
LIPE Q05469 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
FPR2 P25090 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
MGLL Q99685 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
SCHEMBL3604459 0.92 USP30 (0.55) USP30SCN9AGPR119ADAMTS5MMP2
SCHEMBL31524262 0.87 USP30 (0.52) USP30SCN9AGPR119LIPEFPR2
SCHEMBL22171296 0.86 USP30 (0.52) USP30SCN9AGPR119ADAMTS5MMP2
SCHEMBL3606117 0.85 USP30 (0.60) USP30SCN9AGPR119HDAC6SMARCA2
SCHEMBL3609803 0.85 USP30 (0.52) USP30SCN9ALIPETHRBTP53
SCHEMBL3601053 0.84 USP30 (0.61) USP30SCN9AGPR119SMARCA2SMARCA4
SCHEMBL3605594 0.84 USP30 (0.61) USP30SCN9AGPR119TP53
SCHEMBL3608564 0.84 USP30 (0.54) USP30SCN9AGPR119SMARCA2SMARCA4
SCHEMBL22390394 0.84 USP30 (0.52) USP30SCN9AGPR119LIPESMARCA2
SCHEMBL22390396 0.84 USP30 (0.52) USP30SCN9AGPR119LIPESMARCA2

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 USP30 4815/4885SCN9A 1132/4885GPR119 268/4885

“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.