SCHEMBL12440231

SCHEMBL12440231

CC(C)(C)OC(=O)N1CCC(c2nc(-c3cncc(Br)c3)no2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.50
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC4 P56524 2/20 0.44
UCHL1 P09936 1/20 0.43
USP30 Q70CQ3 1/20 0.43
SMO Q99835 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL4414448 0.86 GPR119 (0.56) GPR119LMNATSHRSMN1; SMN2HDAC4
SCHEMBL29891810 0.83 HTT (0.64) GPR119HTTLMNATSHRSMN1; SMN2
SCHEMBL12580536 0.83 HTT (0.64) GPR119HTTLMNATSHRSMN1; SMN2
SCHEMBL390646 0.83 GPR119 (0.67) GPR119HTTLMNATSHRSMN1; SMN2
SCHEMBL1653518 0.81 TUBB4A (0.60) GPR119LMNATSHRSMN1; SMN2HDAC4
SCHEMBL4423384 0.81 GPR119 (0.59) GPR119HTTLMNATSHRSMN1; SMN2
SCHEMBL20116428 0.80 GPR119 (0.50) GPR119HTTLMNATSHRSMN1; SMN2
SCHEMBL2901393 0.80 TUBB4A (0.58) GPR119LMNATSHRSMN1; SMN2HDAC4
SCHEMBL12580564 0.80 HDAC4 (0.56) GPR119HTTLMNATSHRSMN1; SMN2
SCHEMBL4419288 0.80 LMNA (0.59) GPR119HTTLMNATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 WO 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-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D GPR119 3647/4885HTT 1295/4885LMNA 793/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D GPR119 3647/4885HTT 1295/4885LMNA 793/4885

“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.