Sugi Predict

Sugi Predict / Compounds / SCHEMBL63877

SCHEMBL63877

SCHEMBL63877

CC(C)(C)OC(=O)N1CCN(C2CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ CHRM3 P20309 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ PREP P48147 2/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ GPR119 Q8TDV5 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL15236708 0.93 CHRM2 (0.53) USP2SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL22565467 0.93 HPGD (0.48) USP2SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL15111463 0.93 CHRM2 (0.53) USP2SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL22834421 0.93 CHRM2 (0.53) USP2SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL27266822 0.93 HPGD (0.48) USP2SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL3917887 0.93 HPGD (0.55) USP2SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL65017 0.93 HPGD (0.54) USP2SMN1; SMN2HPGDRECQLEPHX1
SCHEMBL1971010 0.93 EPHX1 (0.55) USP2SMN1; SMN2HPGDRECQLEPHX1
SCHEMBL372744 0.92 HPGD (0.47) USP2SMN1; SMN2HPGDCHRM2CHRM1
SCHEMBL4163940 0.92 HPGD (0.47) USP2SMN1; SMN2HPGDCHRM2CHRM1

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886777-A Method for synthesizing 1-cyclopropyl piperazine 浙江工业大学 2024-04-16 — — CN disclosed
CN-109563080-B Preparation method of olaparib 台湾神隆股份有限公司 2021-07-30 — — CN disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 — — US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 — — US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 — — US disclosed
WO-2017088755-A1 AMINOPYRIMIDINE HETEROCYCLIC COMPOUND WITH ADENOSINE RECEPTOR ANTAGONISTIC ACTIVITY Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-06-01 — — WO disclosed
WO-2017088755-A1 AMINOPYRIMIDINE HETEROCYCLIC COMPOUND WITH ADENOSINE RECEPTOR ANTAGONISTIC ACTIVITY Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-06-01 — — WO disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 — — US disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 — — US disclosed
US-8604022-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2013-12-10 — — US disclosed
CN-1774435-A 5-membered heterocyclic derivative DAIICHI SEIYAKU CO (JP) 2006-05-17 — — CN disclosed
WO-2006042103-A2 REVERSIBLE INHIBITORS OF CATHEPSIN B AXYS PHARMACEUTICALS, INC. (US) 2006-04-20 — — WO disclosed
WO-2006042103-A2 REVERSIBLE INHIBITORS OF CATHEPSIN B AXYS PHARMACEUTICALS, INC. (US) 2006-04-20 — — WO disclosed
CN-1759110-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2006-04-12 — — CN disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 — — EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 — — EP disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 — — EP disclosed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 — — US disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 — — WO disclosed
US-4247549-A Piperazine-1-carboxylic acid esters possessing antidepressant or analgesic activity ICI AMERICAS INC. (US) 1981-01-27 — — 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 (5 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 USP2 4725/4885SMN1; SMN2 1190/4885HPGD 612/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 USP2 4726/4885SMN1; SMN2 1841/4885HPGD 918/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 USP2 2350/4885SMN1; SMN2 2684/4885HPGD 646/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 USP2 4726/4885SMN1; SMN2 1841/4885HPGD 918/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 USP2 4726/4885SMN1; SMN2 1841/4885HPGD 918/4885

“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.