SCHEMBL12017682

SCHEMBL12017682

COC(=O)C1=CC=C(CBr)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.36
LMNA P02545 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
THRB P10828 1/20 0.35
CHRM1 P11229 1/20 0.35
PTPN1 P18031 1/20 0.35
BLM P54132 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CA12 O43570 6/20 0.33
CA9 Q16790 6/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL23950875 0.84 PTPN1 (0.40) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL21169137 0.75 PTPN1 (0.31) PTPN1TDP1
SCHEMBL11924355 0.75 CHRM3 (0.39) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL14156021 0.71 CHRM3 (0.39) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL11924354 0.71 CHRM3 (0.39) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL5906945 0.71 PTPN1 (0.50) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL12786920 0.70 PTPN1 (0.41) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL12326213 0.69 LOXL2 (0.41) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL12795427 0.68 ALDH1A1 (0.40) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL5112105 0.66 CHRM3 (0.33) CHRM3LMNACHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-8822486-B2 Spiropiperidine compounds ELI LILLY AND COMPANY (US) 2014-09-02 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 US disclosed
US-8629102-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-01-14 US disclosed
US-8557766-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-10-15 US disclosed
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 US disclosed
US-20120220616-A1 NOVEL SPIROPIPERIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2012-08-30 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 (8 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 CHRM3 247/4885LMNA 3943/4885CHRM2 233/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 CHRM3 249/4885LMNA 4092/4885CHRM2 229/4885
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 CHRM3 305/4885LMNA 4376/4885CHRM2 542/4885
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 CHRM3 305/4885LMNA 4376/4885CHRM2 542/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 CHRM3 466/4885LMNA 3503/4885CHRM2 467/4885
US-20120220616-A1 NOVEL SPIROPIPERIDINE COMPOUNDS REN, SLC5A1, SLC5A2 CHRM3 2810/4885LMNA 3598/4885CHRM2 2373/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 CHRM3 306/4885LMNA 4370/4885CHRM2 552/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 CHRM3 504/4885LMNA 3857/4885CHRM2 525/4885

“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.