SCHEMBL1336653

SCHEMBL1336653

CC1CCN(C(N)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ACHE P22303 1/20 0.47
PHGDH O43175 1/20 0.46
MGLL Q99685 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 5/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 2/20 0.40

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
SCHEMBL10242473 0.86
SCHEMBL20331851 0.86
SCHEMBL13841231 0.86
SCHEMBL14009909 0.81 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2AACHE
Tert-Butyl Formate SCHEMBL27639043 0.80 TDP1 (0.42) ALDH1A1NPC1MEN1KMT2AACHE
SCHEMBL25446918 0.79 ALDH1A1 (0.58) ALDH1A1NPC1MEN1KMT2AACHE
SCHEMBL2566319 0.79 KDM1A (0.37) ALDH1A1NPC1MEN1KMT2AGAA
SCHEMBL4743328 0.79 KDM1A (0.37) ALDH1A1GAAHTT
SCHEMBL2606432 0.79 ALDH1A1 (0.40) ALDH1A1NPC1MEN1KMT2AACHE
SCHEMBL23581929 0.78 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003655-B Cycloalkyl urea derivatives 住友制药株式会社 2025-03-21 CN claimed
US-20230293517-A1 ANTAGONIST COMPOUNDS JANSSEN PHARMCEUTICA NV (BE) 2023-09-21 US claimed
US-20230088694-A1 CYCLOALKYLUREA DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2023-03-23 US claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
CN-115003655-A Cycloalkyl urea derivatives 住友制药株式会社 2022-09-02 CN claimed
EP-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP claimed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO claimed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
EP-2760862-B1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2015-10-21 EP claimed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP claimed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP claimed
EP-1917247-A1 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-05-07 EP claimed
US-20070073056-A1 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-29 US claimed
WO-2007009689-A1 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-01-25 WO claimed
WO-2007009690-A1 HETEROCYCLYL-SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A (ES) 2007-01-25 WO claimed
EP-1743894-A1 Heterocyclyl-substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP claimed
EP-1743890-A1 4,5-Dihydro-1H-pyrazole derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20070073056-A1 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments P2RX4, PIR, P2RY4 ALDH1A1 1573/4885NPC1 1095/4885MEN1 1294/4885
US-20230293517-A1 ANTAGONIST COMPOUNDS ADORA2B, ADORA2A, ADORA1 ALDH1A1 639/4885NPC1 1922/4885MEN1 1375/4885
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ALDH1A1 1065/4885NPC1 1078/4885MEN1 3467/4885
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 ALDH1A1 2027/4885NPC1 3196/4885MEN1 2579/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ALDH1A1 617/4885NPC1 1208/4885MEN1 3945/4885
US-20230088694-A1 CYCLOALKYLUREA DERIVATIVE HCRTR2, HCRTR1, CRHR2 ALDH1A1 2531/4885NPC1 469/4885MEN1 3411/4885

“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.