SCHEMBL10127693

SCHEMBL10127693

CC(C)(C)OC(=O)N1CCC(c2cccc(NC(=O)OCc3ccccc3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
USP30 Q70CQ3 1/20 0.49
MGLL Q99685 1/20 0.49
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
STS P08842 1/20 0.48
ALOX12 P18054 1/20 0.47
GPR119 Q8TDV5 2/20 0.47
TGFBR1 P36897 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL1443785 0.90 USP30 (0.58) USP30MGLLBCL9CTNNB1
SCHEMBL14824682 0.89 NAMPT (0.65) NAMPTSTSGPR119HTT
SCHEMBL10127573 0.87 NAMPT (0.48) NAMPTUSP30MGLLSTSGPR119
SCHEMBL1668794 0.86 LMNA (0.51) NAMPTBCL9CTNNB1STSGPR119
SCHEMBL4615967 0.86 NAMPT (0.48) NAMPTSTSGPR119HTT
SCHEMBL282296 0.85 ALDH1A1 (0.48) NAMPTUSP30MGLLSTSALOX12
SCHEMBL10127700 0.85 MGLL (0.56) MGLL
SCHEMBL328235 0.85 RAB9A (0.50) NAMPTALOX12GPR119
SCHEMBL8030926 0.84 STS (0.47) NAMPTSTSGPR119HTT
SCHEMBL2878255 0.82 NAMPT (0.57) NAMPTSTSALOX12GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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 (2 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 NAMPT 1441/4885USP30 2817/4885MGLL 1616/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 NAMPT 1441/4885USP30 2817/4885MGLL 1616/4885

“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.