SCHEMBL4117938

SCHEMBL4117938

CC(C)(C)OC(=O)CCOC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HTT P42858 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GRIN2B Q13224 5/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
STS P08842 1/20 0.45
FAAH O00519 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
CYP3A4 P08684 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4121758 0.89 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL4111032 0.88 HTT (0.62) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL8993974 0.86 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL14992654 0.86 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL23673639 0.84 HTT (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL30963346 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL27140910 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL1206740 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL30963373 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL18551726 0.83 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2024-07-04 US disclosed
US-11542273-B2 Amide compound having bet proteolysis-inducing action and medicinal application thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-01-03 US disclosed
US-11542273-B2 Amide compound having bet proteolysis-inducing action and medicinal application thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-01-03 US disclosed
US-20210284654-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2021-09-16 US disclosed
US-20210284654-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2021-09-16 US disclosed
EP-3819305-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2021-05-12 EP disclosed
CN-112543764-A Amide compound with BET proteolysis induction effect and medical application thereof 田边三菱制药株式会社 2021-03-23 CN disclosed
WO-2020009176-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF 田辺三菱製薬株式会社 2020-01-09 WO disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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 (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-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof HDAC6, HDAC9, HDAC7 SMN1; SMN2 2725/4885NPC1 1924/4885RAB9A 224/4885
US-11542273-B2 Amide compound having bet proteolysis-inducing action and medicinal application thereof BET1, BRD4, PHKB SMN1; SMN2 4500/4885NPC1 3288/4885RAB9A 2761/4885
US-20210284654-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF BET1, BRD4, PHKB SMN1; SMN2 4459/4885NPC1 3072/4885RAB9A 2750/4885
US-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR SMN1; SMN2 4445/4885NPC1 187/4885RAB9A 4041/4885

“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.