SCHEMBL3608564

SCHEMBL3608564

CC(C)(C)OC(=O)N1CCN2C(=O)N(c3ccc(Cl)c(Cl)c3)CC2C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.54
SCN9A Q15858 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.38
FPR2 P25090 2/20 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
SCHEMBL3609803 0.88 USP30 (0.52) USP30SCN9ASMN1; SMN2HTTCNR1
SCHEMBL3605594 0.87 USP30 (0.61) USP30SCN9AMAPTCNR1GPR119
SCHEMBL3604459 0.86 USP30 (0.55) USP30SCN9AMAPTALDH1A1GPR119
SCHEMBL22390396 0.84 USP30 (0.52) USP30SCN9AMAPTALDH1A1GPR119
SCHEMBL22390394 0.84 USP30 (0.52) USP30SCN9AMAPTALDH1A1GPR119
SCHEMBL3608099 0.84 USP30 (0.53) USP30SCN9AGPR119SMARCA2SMARCA4
SCHEMBL23897991 0.84 USP30 (0.52) USP30SCN9AMAPTALDH1A1GPR119
SCHEMBL20616391 0.84 USP30 (0.52) USP30SCN9AMAPTALDH1A1GPR119
SCHEMBL31524262 0.84 USP30 (0.52) USP30SCN9AMAPTALDH1A1GPR119
SCHEMBL3607083 0.83 USP30 (0.52) USP30SCN9AMAPTALDH1A1GPR119

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 1132/4885MAPT 3961/4885

“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.