SCHEMBL5335

SCHEMBL5335

c1cncc(N2CCNCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.87
CHRNA4 P43681 8/20 0.87
ADRB2 P07550 1/20 0.60
NCF1 P14598 1/20 0.60
PLD1 Q13393 1/20 0.60
ALDH1A1 P00352 1/20 0.59
HTR3E A5X5Y0 1/20 0.59
HTR3B O95264 1/20 0.59
ADRB1 P08588 1/20 0.59
HTR3A P46098 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
CHRNA7 P36544 2/20 0.56
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54

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
SCHEMBL29507540 1.00 CHRNB2 (0.87) CHRNB2CHRNA4ADRB2NCF1PLD1
SCHEMBL3538787 1.00 CHRNB2 (0.87) CHRNB2CHRNA4ADRB2NCF1PLD1
Hydrochloric Acid SCHEMBL9066315 0.98 CHRNB2 (0.84) CHRNB2CHRNA4ADRB2NCF1PLD1
SCHEMBL3061045 0.93 CHRNB2 (1.00) CHRNB2CHRNA4ADRB2NCF1PLD1
SCHEMBL6350076 0.92 CHRNB2 (0.91) CHRNB2CHRNA4ADRB2NCF1PLD1
SCHEMBL3065598 0.90 CHRNB2 (0.94) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNB4
SCHEMBL5171064 0.89 CHRNB2 (0.71) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNB4
SCHEMBL5655866 0.89 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL28210749 0.86 CHRNB2 (0.67) CHRNB2CHRNA4ADRB2NCF1PLD1
Fumaric Acid SCHEMBL27454231 0.86 CHRNB2 (0.67) CHRNB2CHRNA4ADRB2NCF1PLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114806414-B Silicon polishing composition, preparation method and application thereof 万华化学集团电子材料有限公司 2023-07-11 CN claimed
CN-114806414-A Silicon polishing composition, preparation method and application thereof 万华化学集团电子材料有限公司 2022-07-29 CN claimed
US-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2017-06-22 US claimed
CN-106800554-A A kind of crystal formation of Pa Boxini dihydrochlorides and preparation method thereof 上海科胜药物研发有限公司 2017-06-06 CN claimed
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA, INC. 2015-07-23 US claimed
EP-2300469-A2 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-03-30 EP claimed
WO-2009140128-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-11-19 WO claimed
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; NEUROSEARCH A/S 2004-04-15 US claimed
CN-1277604-A Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH AS (DK) 2000-12-20 CN claimed
CN-122036605-A Antagonists of GPR39 proteins 俄勒冈健康科学大学 2026-05-15 CN disclosed
EP-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
EP-4739684-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
US-20260070884-A1 Inhibitors of Dihydroceramide Desaturase for Treating Disease CENTAURUS THERAPEUTICS (US) 2026-03-12 US disclosed
US-20250388584-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME SHANGHAI RAISING PHARMACEUTICAL CO LTD (CN) 2025-12-25 US disclosed
EP-0244115-A2 Phenyl-piperazine anti-arrhythmia agents Pfizer Limited (GB) 1987-11-04 EP disclosed
CN-87102873-A Phenylpiperazine anti-dysrhythmia agents and preparation method thereof 1987-10-28 CN disclosed
EP-0233051-A2 Antiarrhythmic Agents Pfizer Limited (GB) 1987-08-19 EP disclosed
CN-87100652-A ANTI-DYSRHYTHMIA AGENTS 1987-08-19 CN disclosed
US-4442103-A ANTIDEPRESSANTS MERCK & CO., INC. (US) 1984-04-10 US disclosed
US-4191765-A 1-Aryloxy-2-hydroxy-3-aminopropanes HOECHST AKTIENGESELLSCHAFT (DE) 1980-03-04 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 (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-20260070884-A1 Inhibitors of Dihydroceramide Desaturase for Treating Disease CERS2, DEGS1, CERT1 CHRNB2 2711/4885CHRNA4 2951/4885ADRB2 1055/4885
US-20170174710-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 CHRNB2 244/4885CHRNA4 287/4885ADRB2 202/4885
US-20150203515-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 CHRNB2 150/4885CHRNA4 167/4885ADRB2 369/4885
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; OGFR, CBR3, OGFRL1 CHRNB2 700/4885CHRNA4 1019/4885ADRB2 184/4885
US-20250388584-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME PDXK, SLC19A2, NADK CHRNB2 29/4885CHRNA4 79/4885ADRB2 157/4885

“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.