SCHEMBL1922847

SCHEMBL1922847

CC(C)(C)OC(=O)N1CCCC1c1ccc(N)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
RIPK1 Q13546 2/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
UCHL1 P09936 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL2695856 1.00 NR1H2 (0.46) NR1H2LMNATSHRRIPK1ALOX5AP
SCHEMBL17041234 0.88 RIPK1 (0.50) LMNATSHRRIPK1NPSR1MAPT
SCHEMBL5206161 0.88 NR1H2 (0.42) NR1H2LMNATSHRRIPK1ALOX5AP
SCHEMBL25594973 0.87 LMNA (0.48) NR1H2LMNATSHRNPSR1MAPT
SCHEMBL25599989 0.86 NR1H2 (0.45) NR1H2LMNATSHRALOX5APFEN1
SCHEMBL26987927 0.86 USP30 (0.47) NR1H2LMNATSHRRIPK1NPSR1
SCHEMBL31413078 0.86 ALDH1A1 (0.52) LMNATSHRRIPK1NPSR1MAPT
SCHEMBL31290628 0.86 USP30 (0.47) NR1H2LMNATSHRRIPK1NPSR1
SCHEMBL16891482 0.84 LMNA (0.45) LMNATSHRRIPK1ALOX5APFEN1
SCHEMBL4564195 0.81 RIPK1 (0.48) LMNATSHRRIPK1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
EP-2328889-A1 ACETYL PYRROLIDINYL INDOLE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2011-06-08 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
WO-2010018800-A1 ACETYL PYRROLIDINYL INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-02-18 WO disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 NR1H2 847/4885LMNA 3434/4885TSHR 3405/4885

“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.