SCHEMBL474742

SCHEMBL474742

O=C(O)C1CCCN1C(=O)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.60
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
ACE2 Q9BYF1 2/20 0.54
MC4R P32245 2/20 0.53
MC3R P41968 2/20 0.53
MC1R Q01726 2/20 0.53
LTA4H P09960 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53

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
SCHEMBL474618 1.00 ACE (0.60) ACEALDH1A1SMN1; SMN2L3MBTL1ACE2
SCHEMBL28650436 0.98 ACE (0.58) ACEALDH1A1SMN1; SMN2L3MBTL1ACE2
SCHEMBL12798848 0.95 ACE (0.55) ACEALDH1A1SMN1; SMN2L3MBTL1ACE2
SCHEMBL6786426 0.94 ACE (0.55) ACEALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL3183657 0.94 ACE (0.55) ACEALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL3183667 0.94 ACE (0.55) ACEALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL6039762 0.94 ACE (0.55) ACEALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL5037359 0.91 GYS1 (0.56) ACEALDH1A1SMN1; SMN2ACE2CHRM2
SCHEMBL5037364 0.91 GYS1 (0.56) ACEALDH1A1SMN1; SMN2ACE2CHRM2
SCHEMBL3194380 0.91 ACE (0.54) ACEALDH1A1SMN1; SMN2ACE2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109321497-A Long lysine bacillus ZJB-17009 and its application 浙江工业大学 2019-02-12 CN claimed
CN-109321496-A Citrobacter freundii ZJB-17010 and its application 浙江工业大学 2019-02-12 CN claimed
CN-109321491-A Xiangfang enterobacteria ZJB-17001 and its application 浙江工业大学 2019-02-12 CN claimed
CN-109321494-A Intermediate gram Lyu Wall bacterium ZJB-17004 and its application 浙江工业大学 2019-02-12 CN claimed
CN-109321492-A Leclercia adecarboxylata ZJB-17008 and its application 浙江工业大学 2019-02-12 CN claimed
CN-109321490-A Clostridium perfringen ZJB-17003 and its application 浙江工业大学 2019-02-12 CN claimed
CN-109321493-A The lysine of resistance to boron bacillus ZJB-17007 and its application 浙江工业大学 2019-02-12 CN claimed
CN-109321495-A Kluyvera cryocrescens ZJB-17005 and its application 浙江工业大学 2019-02-12 CN claimed
CN-109182201-A Enterobacter amnigenus I type ZJB-17002 of biology and its application 浙江工业大学 2019-01-11 CN claimed
CN-109182200-A Spindle lysine bacillus ZJB-17006 and its application 浙江工业大学 2019-01-11 CN claimed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US claimed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US claimed
US-6531612-B2 Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis HOFFMAN-LA ROCHE INC. 2003-03-11 US claimed
US-20010008901-A1 Nitrile derivatives that inhibit cathepsin K F. HOFFMANN-LA ROCHE AG (CH) 2001-07-19 US claimed
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
EP-0019411-B1 1-PHENYL-2-AMINOETHANOL DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-22 EP disclosed
US-4323575-A TOPICAL ANTIINFLAMMATORY AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-06 US disclosed
EP-0019411-A1 1-Phenyl-2-aminoethanol derivatives, processes for their manufacture and pharmaceutical compositions thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-11-26 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 (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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ACE 640/4885ALDH1A1 2400/4885SMN1; SMN2 4833/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 ACE 640/4885ALDH1A1 2400/4885SMN1; SMN2 4833/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ACE 640/4885ALDH1A1 2400/4885SMN1; SMN2 4833/4885
US-20010008901-A1 Nitrile derivatives that inhibit cathepsin K CTSK, CTSH, CTSS ACE 42/4885ALDH1A1 2193/4885SMN1; SMN2 683/4885

“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.