SCHEMBL6218547

SCHEMBL6218547

N#Cc1ccc(NCCCO)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 3/20 0.74
▸ MAPT P10636 5/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ RAB9A P51151 2/20 0.52
▸ PRSS1 P07477 4/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ VCAM1 P19320 1/20 0.49
▸ HCAR3 P49019 2/20 0.48
▸ GSTM2 P28161 1/20 0.46

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
SCHEMBL6214461 0.96 KAT2B (0.73) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL6220073 0.95 KAT2B (0.71) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL112161 0.92 KAT2B (0.70) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL29519350 0.92 KAT2B (0.70) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL29519405 0.86 KAT2B (0.73) KAT2BMAPTLMNAPKMPRSS1
SCHEMBL6216875 0.85 KAT2B (0.77) KAT2BMAPTLMNAPKMPRSS1
Hydrochloric Acid SCHEMBL514469 0.85 KAT2B (1.00) KAT2BMAPTLMNAPKMPRSS1
SCHEMBL8246358 0.85 KAT2B (0.58) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL9516451 0.85 KAT2B (0.61) KAT2BMAPTLMNAPKMRAB9A
SCHEMBL27655316 0.84 KAT2B (0.71) KAT2BMAPTLMNAPKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113544121-A Heterocyclic derivative with beta 2 receptor agonistic and M receptor antagonistic activities and medical application thereof 中国医药研究开发中心有限公司 2021-10-22 — — CN disclosed
CN-107074833-B Having beta2Benzo ring derivatives with receptor agonistic and M3 receptor antagonistic activities and application thereof in medicine 四川海思科制药有限公司 2021-05-25 — — CN disclosed
WO-2020244452-A1 HETEROCYCLIC DERIVATIVE HAVING β2 RECEPTOR AGITATION AND M RECEPTOR ANTAGONISTIC ACTIVITY AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2020-12-10 — — WO disclosed
US-20190185461-A1 BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-06-20 — — US disclosed
US-20190185461-A1 BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-06-20 — — US disclosed
US-10300072-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2019-05-28 — — US disclosed
EP-3375781-A1 BENZO RING DERIVATIVE WITH B2 RECEPTOR AGONIST AND M3 RECEPTOR ANTAGONIST ACTIVITIES AND USE THEREOF IN MEDICINE Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2018-09-19 — — EP disclosed
US-20180015097-A1 CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2018-01-18 — — US disclosed
US-9757383-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2017-09-12 — — US disclosed
CN-107074833-A With β2The Benzocyclodirivative of receptor agonism and M3 receptor antagonist activities and its in purposes pharmaceutically 四川海思科制药有限公司 2017-08-18 — — CN disclosed
EP-2592077-A1 New cyclohexylamine derivatives having beta2 adrenergic agonist and M3 muscarinic antagonist activities Almirall, S.A. (ES) 2013-05-15 — — EP disclosed
EP-2592078-A1 New cyclohexylamine derivatives having beta2 adrenergic agonist and M3 muscarinic antagonist activities Almirall, S.A. (ES) 2013-05-15 — — EP disclosed
US-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 — — US disclosed
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 — — EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 — — EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 — — US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 — — WO disclosed
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 — — US disclosed
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 — — EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 — — 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 (4 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-10300072-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ADRB2, CHRM3, CHRM2 KAT2B 3876/4885MAPT 2951/4885LMNA 1885/4885
US-20190185461-A1 BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF HCAR2, CHRM3, BDKRB2 KAT2B 2131/4885MAPT 3209/4885LMNA 2286/4885
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 KAT2B 3405/4885MAPT 4825/4885LMNA 2721/4885
US-20180015097-A1 CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 KAT2B 3711/4885MAPT 2957/4885LMNA 1784/4885

“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.

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