SCHEMBL1680897

SCHEMBL1680897

NCc1ccc(C2OCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
LOXL2 Q9Y4K0 6/20 0.41
ABAT P80404 1/20 0.39
TAAR1 Q96RJ0 2/20 0.37
LTA4H P09960 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
F10 P00742 1/20 0.34
F11 P03951 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL20168374 0.92 HRH3 (0.39) HRH3LOXL2ABATTAAR1LTA4H
SCHEMBL8804519 0.83 TAAR1 (0.43) LOXL2TAAR1
SCHEMBL9451016 0.81 MEN1 (0.44) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL5604860 0.80 NCF1 (0.44) LOXL2
SCHEMBL18672255 0.78 IDO1 (0.39) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2202537 0.78 VHL (0.38) LTA4HCCNB2CDK1CCNB1GSK3B
SCHEMBL7473813 0.78 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2237097 0.78 TRPA1 (0.37) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL11941058 0.78 ALDH1A1 (0.43) TAAR1CCNB2CDK1CCNB1GSK3B
SCHEMBL16808779 0.78 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3BCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112932-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-05-30 WO disclosed
US-11957762-B2 Immune tolerant and non-immune tolerant elastin-like recombinant peptides and methods of use UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2024-04-16 US disclosed
EP-3302531-B1 IMMUNE TOLERANT AND NON-IMMUNE TOLERANT ELASTIN-LIKE RECOMBINANT PEPTIDES AND METHODS OF USE UNIV UTAH RES FOUND (US) 2021-02-17 EP disclosed
CN-107690432-B Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity 奇斯药制品公司 2019-12-24 CN disclosed
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 EP disclosed
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 EP disclosed
US-20180289830-A1 IMMUNE TOLERANT AND NON-IMMUNE TOLERANT ELASTIN-LIKE RECOMBINANT PEPTIDES AND METHODS OF USE UNIVERSITY OF UTAH 2018-10-11 US disclosed
EP-3345904-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.a. (IT) 2018-07-11 EP disclosed
EP-3345904-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.a. (IT) 2018-07-11 EP disclosed
EP-3303333-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2018-04-11 EP disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP disclosed
US-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
CN-1729159-A Amide compounds and methods for controlling plant diseases SUMITOMO CHEMICAL CO (JP) 2006-02-01 CN disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 EP disclosed
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP 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 (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-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 HRH3 32/4885LOXL2 1213/4885ABAT 1503/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 HRH3 2460/4885LOXL2 1401/4885ABAT 951/4885

“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.