SCHEMBL963880

SCHEMBL963880

CC(C)(C)OC(=O)NCCCCC(N)=O

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.71
MAOB P27338 1/20 0.71
TDP1 Q9NUW8 1/20 0.66
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
CA1 P00915 10/20 0.54
CA2 P00918 10/20 0.54
CA12 O43570 6/20 0.54
CA9 Q16790 6/20 0.54
CYP3A4 P08684 1/20 0.47
EPHX1 P07099 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL22511877 0.98 MAOA (0.73) MAOAMAOBTDP1MEN1GAA
SCHEMBL31169524 0.98 MAOA (0.73) MAOAMAOBTDP1MEN1GAA
SCHEMBL7977069 0.98 MAOA (0.73) MAOAMAOBTDP1MEN1GAA
SCHEMBL1930913 0.98 MAOA (0.73) MAOAMAOBTDP1MEN1GAA
SCHEMBL1328306 0.98 MAOA (0.73) MAOAMAOBTDP1MEN1GAA
SCHEMBL31747379 0.98 MAOA (0.73) MAOAMAOBTDP1MEN1GAA
SCHEMBL31169526 0.98 MAOA (0.73) MAOAMAOBTDP1MEN1GAA
SCHEMBL19243360 0.98 MAOA (0.73) MAOAMAOBTDP1MEN1GAA
SCHEMBL4967290 0.94 MAOA (0.68) MAOAMAOBTDP1MEN1GAA
SCHEMBL14086303 0.92 MAOA (0.66) MAOAMAOBTDP1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311880-B Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infections 豪夫迈·罗氏有限公司 2021-09-03 CN disclosed
EP-3478680-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION HOFFMANN LA ROCHE (CH) 2020-04-22 EP disclosed
US-20190241559-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION HOFFMANN-LA ROCHE INC. (US) 2019-08-08 US disclosed
CN-109311880-A For treating and preventing hepatitis b virus infected new tetrahydropyridine miazines compound 豪夫迈·罗氏有限公司 2019-02-05 CN disclosed
EP-2773633-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
EP-3012254-B1 BIPHENYL DERIVATIVE AND ITS USE FOR TREATING PULMONARY DISORDERS THERAVANCE RESPIRATORY CO LLC (US) 2017-05-17 EP disclosed
EP-3012254-A1 BIPHENYL DERIVATIVE AND ITS USE FOR TREATING PULMONARY DISORDERS Theravance Respiratory Company, LLC (US) 2016-04-27 EP disclosed
EP-2246345-B1 BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE RESPIRATORY CO LLC (US) 2016-02-10 EP disclosed
US-8969571-B2 Biphenyl derivatives THERAVANCE RESPIRATORY COMPANY, LLC (US) 2015-03-03 US disclosed
US-20140235864-A1 BIPHENYL DERIVATIVES THERAVANCE, INC. (US) 2014-08-21 US disclosed
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2004-08-26 US disclosed
EP-0816378-B1 Glycopeptide antibiotic amide derivatives LILLY CO ELI (US) 2002-04-10 EP disclosed
US-5919756-A CHLORORIENTICIN A ANTIBIOTIC ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
WO-1998000153-A1 AMIDES ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed
EP-0816378-A1 Glycopeptide antibiotic amide derivatives ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
US-4798904-A ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1989-01-17 US disclosed
US-4774256-A MERCAPTO AND ACYLMERCAPTO AMIDES E. R. SQUIBB & SONS, INC. (US) 1988-09-27 US disclosed
US-4722810-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1988-02-02 US disclosed
EP-0136883-B1 ENKEPHALINASE INHIBITORS E.R. Squibb & Sons, Inc. (US) 1987-11-25 EP disclosed
EP-0136883-A2 Enkephalinase inhibitors E.R. Squibb & Sons, Inc. (US) 1985-04-10 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 (3 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-20140235864-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 MAOA 541/4885MAOB 237/4885TDP1 4658/4885
US-20190241559-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION TYMP, RECQL, DPYD MAOA 2900/4885MAOB 1318/4885TDP1 979/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B MAOA 605/4885MAOB 306/4885TDP1 4436/4885

“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.