SCHEMBL4058660

SCHEMBL4058660

CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3o2)CC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 7/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
HTT P42858 3/20 0.64
TSHR P16473 2/20 0.57
NAAA Q02083 1/20 0.57
HCAR2 Q8TDS4 1/20 0.54
MAPT P10636 3/20 0.50
CKS1B P61024 1/20 0.50
SKP1 P63208 1/20 0.50
SKP2 Q13309 1/20 0.50
GBA1 P04062 2/20 0.49
PIK3CA P42336 1/20 0.49
PHGDH O43175 1/20 0.49
SORD Q00796 2/20 0.47

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
SCHEMBL3264562 0.95 GAA (0.59) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL6110987 0.85 ELANE (0.60) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL389868 0.85 GAA (0.64) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL13279367 0.85 PIK3CA (0.52) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL25400235 0.84 PIK3CA (0.51) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL31349361 0.84 MAP4K4 (0.50) PIK3CA
SCHEMBL29506988 0.84 BACE1 (0.49) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL25337465 0.84 BACE1 (0.49) GAAKMT2ALMNASMN1; SMN2HTT
SCHEMBL3101638 0.84 PTGES (0.56) PIK3CA
SCHEMBL27077768 0.84 PIK3CA (0.51) GAAKMT2ALMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371992-A1 ELECTROCHEMICAL ORGANIC REACTION SETUP AND METHODS PIRAMAL PHARMA LIMITED (IN) 2021-12-02 US disclosed
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof Wu, Xiao Hua (US) 2019-03-05 US disclosed
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof Wu, Xiao Hua (US) 2019-03-05 US disclosed
US-8178666-B2 2-aminobenzoxazole process ALBANY MOLECULAR RESEARCH, INC. (US) 2012-05-15 US disclosed
US-20100113772-A1 2-Aminobenzoxazole Process ALBANY MOLECULAR RESEARCH, INC. (US) 2010-05-06 US disclosed
WO-2010048514-A1 SYNTHESIS OF 2-AMINOBENZOXAZOLE COMPOUNDS ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 WO disclosed
EP-1828154-B1 PHENYL-PIPERAZIN METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-29 EP disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 US disclosed
WO-2006061135-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 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 (4 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-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups GRIK5, GRM5, GRIN2C GAA 1605/4885KMT2A 1767/4885LMNA 3065/4885
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof MAN2A1, MAN1B1, ALG1 GAA 84/4885KMT2A 3690/4885LMNA 314/4885
US-20100113772-A1 2-Aminobenzoxazole Process CCR2, CCL2, CCR4 GAA 4748/4885KMT2A 1012/4885LMNA 4644/4885
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HTR5A, NPY5R, GRM5 GAA 3562/4885KMT2A 1387/4885LMNA 2958/4885

“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.