SCHEMBL951887

SCHEMBL951887

CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.65
CTSL P07711 1/20 0.59
CTSB P07858 1/20 0.59
CTSK P43235 1/20 0.59
USP30 Q70CQ3 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
DPP4 P27487 2/20 0.51
KCNH2 Q12809 2/20 0.51
DPP7 Q9UHL4 2/20 0.51
STS P08842 1/20 0.51
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
GPR119 Q8TDV5 1/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NTSR1 P30989 1/20 0.51
TSHR P16473 1/20 0.50

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
SCHEMBL6944572 1.00 HSD11B1 (0.65) HSD11B1CTSLCTSBCTSKUSP30
SCHEMBL3726979 1.00 HSD11B1 (0.65) HSD11B1CTSLCTSBCTSKUSP30
SCHEMBL3313427 0.94 USP30 (0.63) HSD11B1CTSLCTSBCTSKUSP30
SCHEMBL3313424 0.94 USP30 (0.63) HSD11B1CTSLCTSBCTSKUSP30
SCHEMBL30165296 0.94 USP30 (0.63) HSD11B1CTSLCTSBCTSKUSP30
SCHEMBL7870 0.93 L3MBTL1 (0.58) HSD11B1CTSLCTSBCTSKL3MBTL1
SCHEMBL13434239 0.93 USP30 (0.59) HSD11B1CTSLCTSBCTSKUSP30
SCHEMBL21295099 0.93 USP30 (0.59) HSD11B1CTSLCTSBCTSKUSP30
SCHEMBL18391123 0.92 USP30 (0.58) HSD11B1CTSLCTSBCTSKUSP30
SCHEMBL21064049 0.92 USP30 (0.58) HSD11B1CTSLCTSBCTSKUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354635-B Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2023-04-18 CN disclosed
CN-113354635-A Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2021-09-07 CN disclosed
CN-106188027-B Aromatic heterocyclic derivative and application thereof in medicine 广东东阳光药业有限公司 2020-10-20 CN disclosed
EP-3071570-B1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER (US) 2018-06-20 EP disclosed
CN-104918615-A Methods of treating liver diseases ZAFGEN INC 2015-09-16 CN disclosed
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
EP-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 EP disclosed
EP-1546096-B1 PROCESS FOR THE PREPARATION OF AMINO-PYRROLIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2006-09-06 EP disclosed
US-7064199-B2 Process for the manufacture of 3-amino-pyrrolidine derivatives BASILEA PHARMACEUTICA AG (CH) 2006-06-20 US disclosed
EP-1546096-A1 PROCESS FOR THE PREPARATION OF AMINO-PYRROLIDINE DERIVATIVES Basilea Pharmaceutica AG (CH) 2005-06-29 EP disclosed
US-6872836-B2 Process for the manufacture of 3-amino-pyrrolidine derivatives BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2005-03-29 US disclosed
US-20040127703-A1 Process for the manufacture of 3-amino-pyrrolidine derivatives MULLER MARC (FR) 2004-07-01 US disclosed
US-20040034236-A1 Process for the manufacture of 3-amino-pyrrolidine derivatives BASILEA PHARMACEUTICA AG (CH) 2004-02-19 US disclosed
WO-2004013097-A1 PROCESS FOR THE PREPARATION OF AMINO-PYRROLIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2004-02-12 WO disclosed
EP-1080069-B1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP disclosed
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-12-19 US disclosed
US-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 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 (4 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-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase PDE3A, PDE2A, PDE5A HSD11B1 375/4885CTSL 3305/4885CTSB 2326/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 HSD11B1 4093/4885CTSL 2634/4885CTSB 2044/4885
US-20040127703-A1 Process for the manufacture of 3-amino-pyrrolidine derivatives PRMT1, PEPD, PRMT3 HSD11B1 1389/4885CTSL 721/4885CTSB 1895/4885
US-20040034236-A1 Process for the manufacture of 3-amino-pyrrolidine derivatives PRMT1, PEPD, PRMT3 HSD11B1 840/4885CTSL 1040/4885CTSB 1903/4885

“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.