SCHEMBL4987189

SCHEMBL4987189

CN1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.49
EPHX1 P07099 1/20 0.49
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR119 Q8TDV5 4/20 0.46
THRB P10828 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL12564551 0.94 L3MBTL1 (0.48) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL2820842 0.91 HPGD (0.46) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL22595956 0.88 L3MBTL3 (0.50) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL994288 0.87 HPGD (0.58) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL17128329 0.87 HPGD (0.62) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL63877 0.86 USP2 (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL4474239 0.86 HPGD (0.50) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL21871865 0.86 HPGD (0.50) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL1546995 0.86 HPGD (0.50) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL14003333 0.86 HPGD (0.50) HPGDRECQLEPHX1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
US-20220119431-A1 SALT OF EGFR INHIBITOR, CRYSTAL FORM, AND PREPARATION METHOD THEREFOR MEDSHINE DISCOVERY INC. (CN) 2022-04-21 US disclosed
CN-109970743-B 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds as JAK inhibitors 豪夫迈·罗氏有限公司 2022-03-04 CN disclosed
EP-3912976-A1 SALT OF EGFR INHIBITOR, CRYSTAL FORM, AND PREPARATION METHOD THEREFOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-11-24 EP disclosed
CN-107200741-B Preparation method of anaplastic lymphoma kinase inhibitor 首药控股(北京)有限公司 2021-06-08 CN disclosed
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 EP disclosed
WO-2020147838-A1 SALT OF EGFR INHIBITOR, CRYSTAL FORM, AND PREPARATION METHOD THEREFOR 正大天晴药业集团股份有限公司 2020-07-23 WO disclosed
US-20200207768-A1 Aryl-Phosphorus-Oxygen Compound As EGFR Kinase Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-02 US disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 US disclosed
WO-2015127873-A1 ARYLAMINO PYRAMIDINE COMPOUND AND APPLICATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM 上海海雁医药科技有限公司 2015-09-03 WO disclosed
US-7479488-B2 Selected CGRP—antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-20 US disclosed
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives JANSSENS FRANS EDUARD 2008-03-20 US disclosed
WO-2007036532-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
EP-1635833-A1 COMBINATIONS FOR OPIOID-BASED TREATMENT OF PAIN COMPRISING 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-22 EP disclosed
WO-2004110451-A1 COMBINATIONS FOR OPIOID-BASED TREATMENT OF PAIN COMPRISING 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-23 WO disclosed
US-6521621-B1 Tachykinin antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2003-02-18 US disclosed
US-RE37886-E1 1-(1,2-Disubstituted piperidinyl)-4-substituted piperazine derivatives JANSSEN PHARMACEUTICALS, N.V. (BE) 2002-10-15 US disclosed
US-6197772-B1 TACHYKININS ANTAGONIST; ANTIINFLAMMATION AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2001-03-06 US disclosed
EP-0862566-B1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2000-01-12 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 (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-20220119431-A1 SALT OF EGFR INHIBITOR, CRYSTAL FORM, AND PREPARATION METHOD THEREFOR EGFR, WEE1, WEE2 HPGD 3862/4885RECQL 4313/4885EPHX1 3641/4885
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives OPRL1, OPRK1, OPRM1 HPGD 594/4885RECQL 4049/4885EPHX1 385/4885
US-20200207768-A1 Aryl-Phosphorus-Oxygen Compound As EGFR Kinase Inhibitor EGFR, ERBB2, ERBB3 HPGD 2192/4885RECQL 3244/4885EPHX1 1577/4885
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR HPGD 1350/4885RECQL 2543/4885EPHX1 869/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR HPGD 1350/4885RECQL 2543/4885EPHX1 869/4885

“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.