SCHEMBL334182

SCHEMBL334182

CN1C2CCC1CC(N)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
LMNA P02545 1/20 0.55
SLC6A2 P23975 6/20 0.38
SLC6A3 Q01959 6/20 0.38
MAPK1 P28482 1/20 0.37
CHRM1 P11229 7/20 0.35
CHRM3 P20309 4/20 0.35
SLC6A4 P31645 4/20 0.35
DRD3 P35462 4/20 0.35
CHRM2 P08172 3/20 0.35
HRH1 P35367 2/20 0.35
ADRA2A P08913 2/20 0.35
DRD2 P14416 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HRH2 P25021 2/20 0.35
ADRA1D P25100 2/20 0.35
HTR2A P28223 2/20 0.35
HTR6 P50406 2/20 0.35
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL21548014 1.00 CYP2C9 (0.55) CYP2C9LMNASLC6A2SLC6A3MAPK1
SCHEMBL22113161 1.00 CYP2C9 (0.55) CYP2C9LMNASLC6A2SLC6A3MAPK1
SCHEMBL1573636 1.00 CYP2C9 (0.55) CYP2C9LMNASLC6A2SLC6A3MAPK1
SCHEMBL13713095 1.00 CYP2C9 (0.55) CYP2C9LMNASLC6A2SLC6A3MAPK1
SCHEMBL372614 1.00 CYP2C9 (0.55) CYP2C9LMNASLC6A2SLC6A3MAPK1
SCHEMBL852253 1.00 CYP2C9 (0.55) CYP2C9LMNASLC6A2SLC6A3MAPK1
Hydrochloric Acid SCHEMBL704299 0.97 LMNA (0.52) CYP2C9LMNASLC6A2SLC6A3MAPK1
Hydrochloric Acid SCHEMBL7624931 0.97 LMNA (0.52) CYP2C9LMNASLC6A2SLC6A3MAPK1
Hydrochloric Acid SCHEMBL1110550 0.97 LMNA (0.52) CYP2C9LMNASLC6A2SLC6A3MAPK1
Hydrochloric Acid SCHEMBL3368724 0.97 LMNA (0.52) CYP2C9LMNASLC6A2SLC6A3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654620-B Novel pyrazolopyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-08-04 CN claimed
EP-3847173-B1 NOVEL PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-04-12 EP claimed
US-20210355122-A1 PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-11-18 US claimed
EP-3847173-A1 NOVEL PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP claimed
CN-112654620-A Novel pyrazolopyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-13 CN claimed
CN-110804051-A Preparation method of granisetron intermediate 杭州励德生物科技有限公司 2020-02-18 CN claimed
CN-102234231-B 1-substituted-2-substituted-4- aryl substituted-butyl-2-alkene 1, 4-diketone compound, its preparation method and application SHANGHAI INST MATERIA MEDICA 2015-01-07 CN claimed
WO-2014130759-A1 METHODS OF USING HISTAMINE RECEPTOR AGONISTS AND ANTAGONISTS UNIVERSITY OF ROCHESTER (US) 2014-08-28 WO claimed
CN-102234231-A 1-substituted-2-substituted-4- aryl substituted-butyl-2-alkene 1, 4-diketone compound, its preparation method and application SHANGHAI INST MATERIA MEDICA 2011-11-09 CN claimed
JP-4658940-B2 2011-03-23 JP claimed
WO-2004089416-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089415-A2 COMBINATIONS OF AN 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 US claimed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO claimed
CN-1451660-A Process for preparing granisetron and its salt HAIZHENG PHARMACEUTICAL CO LTD (CN) 2003-10-29 CN claimed
EP-0422846-B1 Aroyl-ureas WYETH JOHN & BROTHER LTD (GB) 1994-02-16 EP claimed
EP-0494978-A1 HETEROCYCLIC COMPOUNDS. WYETH JOHN & BROTHER LTD (GB) 1992-07-22 EP claimed
WO-1991005783-A1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-05-02 WO claimed
EP-0422846-A2 Aroyl-ureas JOHN WYETH & BROTHER LIMITED (GB) 1991-04-17 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 (2 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-20210355122-A1 PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE KCNJ1, KCNJ11, SSB CYP2C9 907/4885LMNA 4444/4885SLC6A2 3179/4885
US-20040058934-A1 Heterocyclic compounds HRH4, HRH2, HRH1 CYP2C9 1552/4885LMNA 4780/4885SLC6A2 3850/4885

“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.