SCHEMBL408199

SCHEMBL408199

O=C(c1ccccn1)C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 2/20 0.45

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
Hydrochloric Acid SCHEMBL439311 0.98 KMT2A (0.47) CES2CES1CYP3A4CYP2C9L3MBTL1
SCHEMBL29714884 0.90 CHRNB2 (0.48) CES2CES1CYP3A4CYP2C9L3MBTL1
SCHEMBL7449557 0.90 CHRNB2 (0.48) CES2CES1CYP3A4CYP2C9L3MBTL1
Hydrochloric Acid SCHEMBL29714883 0.89 CHRNB2 (0.47) CES2CES1CYP3A4CYP2C9L3MBTL1
SCHEMBL6211662 0.88 RIPK1 (0.47) CYP3A4CYP2C9L3MBTL1LMNACHRNB2
SCHEMBL5928876 0.88 CES2 (0.57) CES2CES1CYP3A4CYP2C9L3MBTL1
Tert-Butyl Formate SCHEMBL27968885 0.85 RBP4 (0.39) CES2CES1CYP3A4CYP2C9CHRNB2
SCHEMBL5042317 0.84 CYP3A4 (0.58) CES2CES1CYP3A4CYP2C9L3MBTL1
SCHEMBL6449861 0.84 CYP3A4 (0.58) CES2CES1CYP3A4CYP2C9L3MBTL1
SCHEMBL13150579 0.83 CHRNB2 (0.56) CES2CES1CYP3A4CYP2C9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102464894-B Method for preparing pyrazolone anti-vignetting dye SHENYANG PHOTOSENSITIVE CHEMICAL RES INST 2014-05-14 CN claimed
CN-102464894-A Preparation method of pyrazolone antihalation dye SHENYANG PHOTOSENSITIVE CHEMICAL RES INST 2012-05-23 CN claimed
CN-115850241-B Substituted heterocyclic compound containing alpha-ketone skeleton and application thereof 中国药科大学 2025-01-14 CN disclosed
US-20240391901-A1 SUBSTITUTED HETEROCYCLIC COMPOUND CONTAINING ALPHA-KETONE FRAMEWORK, AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-11-28 US disclosed
WO-2023046055-A1 SUBSTITUTED HETEROCYCLIC COMPOUND CONTAINING α-KETONE FRAMEWORK, AND USE THEREOF 中国药科大学 2023-03-30 WO disclosed
CN-115850241-A Substituted heterocyclic compound containing alpha-ketone skeleton and application thereof 中国药科大学 2023-03-28 CN disclosed
US-9212180-B2 Menin-MLL inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-15 US disclosed
US-9181266-B2 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181266-B2 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181266-B2 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
EP-2731942-B1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
EP-1571145-A1 Substituted piperidine compounds for use as H3 histamine receptor antagonists SCHERING CORPORATION (US) 2005-09-07 EP disclosed
US-20040097513-A1 Novel non-imidazole compounds ASLANIAN ROBERT G (US) 2004-05-20 US disclosed
US-6720328-B2 TREATING ALLERGY, ALLERGY-INDUCED AIRWAY RESPONSES, AND CONGESTION (E.G., NASAL CONGESTION) SCHERING CORPORATION 2004-04-13 US disclosed
CN-1469873-A Piperidine compounds useful as antiallergic agents ���鹫˾ 2004-01-21 CN disclosed
EP-1326858-A2 PIPERIDINE COMPOUNDS AS ANTI-ALLERGIC Schering Corporation (US) 2003-07-16 EP disclosed
US-20030045519-A1 Novel non-imidazole compounds SCHERING CORPORATION 2003-03-06 US disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
WO-2002032893-A2 PIPERIDINE COMPOUNDS AS ANTI-ALLERGIC SCHERING CORPORATION (US) 2002-04-25 WO disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 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 (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-20040097513-A1 Novel non-imidazole compounds HRH2, HRH1, HRH4 CES2 3215/4885CES1 2083/4885CYP3A4 802/4885
US-20030045519-A1 Novel non-imidazole compounds HRH2, HRH1, HRH4 CES2 3215/4885CES1 2083/4885CYP3A4 802/4885
US-20240391901-A1 SUBSTITUTED HETEROCYCLIC COMPOUND CONTAINING ALPHA-KETONE FRAMEWORK, AND USE THEREOF FAAH, FAAH2, FAH CES2 978/4885CES1 99/4885CYP3A4 1684/4885

“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.