SCHEMBL459905

SCHEMBL459905

CC(C)(C)OC(=O)N1CCC(c2nnn[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
THRB P10828 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGDS O60760 1/20 0.47
HTT P42858 2/20 0.47
EPHX1 P07099 1/20 0.46
GPR119 Q8TDV5 3/20 0.45
HPGD P15428 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
NAMPT P43490 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL2328081 0.92 HPGDS (0.49) MAPTTHRBKDM4EHPGDSHTT
SCHEMBL12779883 0.86 KDM4E (0.42) MAPTTHRBKDM4EHPGDSEPHX1
SCHEMBL8405112 0.86 HPGDS (0.50) MAPTTHRBKDM4EHPGDSEPHX1
SCHEMBL16887634 0.80 PARP1 (0.42) MAPTKDM4EEPHX1ALDH1A1
SCHEMBL28934785 0.78 NR1H2 (0.40) MAPTTHRBKDM4EHTTGPR119
SCHEMBL2899508 0.78 THRB (0.51) MAPTTHRBKDM4EHPGDSHTT
SCHEMBL30241680 0.78 NR1H2 (0.40) MAPTTHRBKDM4EHTTGPR119
SCHEMBL1357636 0.77 ALDH1A1 (0.49) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL28815568 0.77 THRB (0.56) MAPTTHRBKDM4EHPGDSHTT
SCHEMBL1357634 0.77 ALDH1A1 (0.49) MAPTHTTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4714446-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2026-03-25 EP disclosed
US-12145929-B2 Piperidine derivative and pharmaceutical composition for inhibiting autotaxin comprising same NEXTGEN BIOSCIENCE CO., LTD. (KR) 2024-11-19 US disclosed
US-20240279216-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING SAME NEXTGEN BIOSCIENCE CO., LTD. (KR) 2024-08-22 US disclosed
EP-4413985-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2024-08-14 EP disclosed
EP-4353720-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING SAME Nextgen Bioscience Co., Ltd. (KR) 2024-04-17 EP disclosed
CN-117396471-A Novel piperidine derivatives and pharmaceutical compositions for inhibiting autotaxin comprising the same 株式会社次代生物科学 2024-01-12 CN disclosed
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 US disclosed
WO-2023055178-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2023-04-06 WO disclosed
WO-2023055178-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2023-04-06 WO disclosed
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2021-12-09 US disclosed
EP-1171122-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
US-20020042431-A1 Zwitterionic tachykinin receptor antagonists MERCK & CO., INC. 2002-04-11 US disclosed
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP disclosed
WO-2002024629-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-03-28 WO disclosed
US-6358979-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1171122-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-16 EP disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000076514-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 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 (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-20020042431-A1 Zwitterionic tachykinin receptor antagonists NPY5R, NPY1R, NPY2R MAPT 3333/4885THRB 524/4885KDM4E 2438/4885
US-20240279216-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING SAME ENPP2, UACA, ITCH MAPT 1677/4885THRB 4146/4885KDM4E 3285/4885
US-12145929-B2 Piperidine derivative and pharmaceutical composition for inhibiting autotaxin comprising same ENPP2, UACA, ACAT2 MAPT 1471/4885THRB 3991/4885KDM4E 3253/4885
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 MAPT 1263/4885THRB 3384/4885KDM4E 1110/4885
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 MAPT 1263/4885THRB 3384/4885KDM4E 1110/4885

“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.