SCHEMBL4012571

SCHEMBL4012571

CN(C)CCN1CCN(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
ESR2 Q92731 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PKM P14618 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HPGD P15428 1/20 0.36
DTYMK P23919 1/20 0.36

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
SCHEMBL4005175 0.85 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2TP53
SCHEMBL1583253 0.85 P2RX7 (0.46) NR1H2USP2SMN1; SMN2ESR2TP53
SCHEMBL24744821 0.83 NR1H2 (0.40) NR1H2USP2SMN1; SMN2ESR2TP53
SCHEMBL1176507 0.83 NR1H2 (0.40) NR1H2USP2SMN1; SMN2ESR2TP53
SCHEMBL4390630 0.83 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2TP53
SCHEMBL12495387 0.82 ITGB3 (0.41) NR1H2USP2SMN1; SMN2GPR119ESR2
SCHEMBL1583540 0.82 CNR2 (0.40) NR1H2USP2SMN1; SMN2ESR2MAPT
SCHEMBL6969188 0.82 P2RX7 (0.49) NR1H2USP2SMN1; SMN2ESR2TP53
SCHEMBL4388222 0.81 GPR119 (0.41) NR1H2GPR119ESR2MAPTALDH1A1
SCHEMBL3635546 0.81 P2RX7 (0.45) NR1H2USP2SMN1; SMN2ESR2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110494431-B Azacyclo derivative, preparation method and medical application thereof 苏州浦合医药科技有限公司 2022-11-04 CN disclosed
CN-107098886-B Prazinone-containing quinazolinone PARP-1/2 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-07-14 CN disclosed
CN-110494431-A Nitrogen heterocycles derivative, preparation method and its medical usage BEIJING YUEZHIKANGTAI BIOMEDICINES CO LTD 2019-11-22 CN disclosed
WO-2019062657-A1 NITROGEN HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 北京越之康泰生物医药科技有限公司 2019-04-04 WO disclosed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 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 (1 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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 NR1H2 653/4885USP2 3078/4885SMN1; SMN2 4702/4885

“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.