Sugi Predict

Sugi Predict / Compounds / SCHEMBL3336130

SCHEMBL3336130

SCHEMBL3336130

CC(C)(C)OC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ GRM5 P41594 2/20 0.57
▸ ALDH1A1 P00352 6/20 0.57
▸ MAPT P10636 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ POLB P06746 2/20 0.56
▸ MAPK1 P28482 1/20 0.54
▸ MET P08581 1/20 0.52
▸ HSD11B1 P28845 1/20 0.52
▸ GPR119 Q8TDV5 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 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
SCHEMBL29741462 1.00 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19GRM5ALDH1A1
SCHEMBL14335050 0.85 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19GRM5ALDH1A1
SCHEMBL14334646 0.84 ALDH1A1 (0.49) CYP1A2CYP2C9CYP2C19GRM5ALDH1A1
SCHEMBL17550837 0.82 MAPT (0.58) ALDH1A1MAPTLMNAPOLBMET
SCHEMBL20025067 0.82 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19GRM5ALDH1A1
SCHEMBL31343918 0.82 SMN1; SMN2 (0.62) CYP1A2CYP2C9CYP2C19GRM5ALDH1A1
SCHEMBL2977592 0.82 ALDH1A1 (0.63) CYP1A2CYP2C9CYP2C19GRM5ALDH1A1
SCHEMBL3436722 0.82 POLB (0.57) POLBGPR119
SCHEMBL30998112 0.82 MAPT (0.63) GRM5ALDH1A1MAPTLMNAMAPK1
SCHEMBL31046329 0.82 POLB (0.57) ALDH1A1MAPTLMNAPOLBGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109776403-B Method for preparing 1-tert-butyloxycarbonyl-4- [3- (alkylamino) -2-pyridyl ] piperazine 吉林大学 2022-06-14 — — CN claimed
CN-101671297-B Synthesis method of 4- (3-iodine-2-pyridyl) piperazine compound SHANGHAI PHARMATECHS CO LTD 2012-05-09 — — CN claimed
CN-101671297-A Method for synthesizing 4-(3-iodo-2-pyridinyl) piperazine compound SHANGHAI APPTEC CO LTD 2010-03-17 — — CN claimed
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-07-03 — — US disclosed
CN-109776403-B Method for preparing 1-tert-butyloxycarbonyl-4- [3- (alkylamino) -2-pyridyl ] piperazine 吉林大学 2022-06-14 — — CN disclosed
CN-109776403-B Method for preparing 1-tert-butyloxycarbonyl-4- [3- (alkylamino) -2-pyridyl ] piperazine 吉林大学 2022-06-14 — — CN disclosed
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 — — EP disclosed
US-9421204-B2 Oligomer modified diaromatic substituted compounds NEKTAR THERAPEUTICS (US) 2016-08-23 — — US disclosed
US-20160143904-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS 2016-05-26 — — US disclosed
US-9226970-B2 Oligomer modified diaromatic substituted compounds NEKTAR THERAPEUTICS (US) 2016-01-05 — — US disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 — — US disclosed
CN-101671297-A Method for synthesizing 4-(3-iodo-2-pyridinyl) piperazine compound SHANGHAI APPTEC CO LTD 2010-03-17 — — CN disclosed
CN-101671297-A Method for synthesizing 4-(3-iodo-2-pyridinyl) piperazine compound SHANGHAI APPTEC CO LTD 2010-03-17 — — CN disclosed
EP-2134687-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS AstraZeneca AB (SE) 2009-12-23 — — EP disclosed
WO-2008112440-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS ASTRAZENECA AB (SE) 2008-09-18 — — WO disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 — — WO disclosed
EP-1497291-B1 QUINOLINE AND AZA-INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LTD (GB) 2006-11-22 — — EP disclosed
US-20050124626-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2005-06-09 — — US disclosed
EP-1497291-A2 QUINOLINE AND AZA-INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2005-01-19 — — EP disclosed
WO-2003080608-A2 QUINOLINE AND AZA-INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2003-10-02 — — 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 (3 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-20160143904-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS HLA-DRB1, NOD2, DCX CYP1A2 827/4885CYP2C9 429/4885CYP2C19 969/4885
US-20050124626-A1 Novel compounds AANAT, INMT, CHRNA5 CYP1A2 286/4885CYP2C9 2248/4885CYP2C19 1374/4885
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF STAT6, STAT5B, STAT5A CYP1A2 4586/4885CYP2C9 4723/4885CYP2C19 4391/4885

“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.