SCHEMBL489644

SCHEMBL489644

[CH2]CCCCc1cc(=O)oc2cc(OC)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.64
▸ KDM4E B2RXH2 10/20 0.61
▸ LCK P06239 1/20 0.61
▸ ALDH1A1 P00352 9/20 0.60
▸ HPGD P15428 6/20 0.60
▸ CYP19A1 P11511 3/20 0.58
▸ HSD17B10 Q99714 4/20 0.56
▸ GAA P10253 3/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.55
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA3 P07451 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51

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
SCHEMBL28384155 0.87 KDM4E (0.64) CYP2D6KDM4ELCKALDH1A1HPGD
SCHEMBL28387929 0.87 CYP2D6 (0.64) CYP2D6KDM4ELCKALDH1A1HPGD
SCHEMBL8809604 0.85 CYP2D6 (0.65) CYP2D6KDM4ELCKALDH1A1HPGD
SCHEMBL28381712 0.85 KDM4E (0.64) CYP2D6KDM4ELCKALDH1A1HPGD
SCHEMBL15984893 0.83 KDM4E (0.71) CYP2D6KDM4ELCKALDH1A1HPGD
SCHEMBL28385015 0.83 CYP2D6 (0.62) CYP2D6KDM4ELCKALDH1A1HPGD
SCHEMBL9797535 0.82 CYP2D6 (0.68) CYP2D6KDM4ELCKALDH1A1HPGD
SCHEMBL29975674 0.82 CYP2D6 (0.68) CYP2D6KDM4ELCKALDH1A1HPGD
SCHEMBL6439485 0.82 KDM4E (0.69) CYP2D6KDM4ELCKALDH1A1HPGD
SCHEMBL6031499 0.82 CYP2D6 (0.76) CYP2D6KDM4ELCKALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016835-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-06-25 — — US disclosed
US-11851443-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-12-26 — — US disclosed
US-20230285340-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-09-14 — — US disclosed
US-11547687-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-01-10 — — US disclosed
US-11261197-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-03-01 — — US disclosed
US-20210079017-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-18 — — US disclosed
US-20210059966-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-04 — — US disclosed
US-10759813-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-01 — — US disclosed
US-10744104-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-08-18 — — US disclosed
US-20200031847-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-01-30 — — US disclosed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 — — US disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 — — US disclosed
WO-2009035543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-03-19 — — WO disclosed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 — — US disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 — — US disclosed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 — — WO disclosed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 — — WO disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 — — US disclosed
WO-2008097459-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-08-14 — — WO disclosed
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-07 — — 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 (16 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-20090093417-A1 Dual-acting antihypertensive agents AGTR1, REN, AGTR2 CYP2D6 931/4885KDM4E 2853/4885LCK 2205/4885
US-20230285340-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CYP2D6 642/4885KDM4E 2305/4885LCK 3100/4885
US-10759813-B2 Neprilysin inhibitors MME, REN, ACE CYP2D6 523/4885KDM4E 2334/4885LCK 3511/4885
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure AGTR2, REN, AGTR1 CYP2D6 887/4885KDM4E 1066/4885LCK 3170/4885
US-11547687-B2 Neprilysin inhibitors MME, REN, ACE CYP2D6 642/4885KDM4E 2305/4885LCK 3100/4885
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents AGTR1, AGTR2, REN CYP2D6 307/4885KDM4E 2414/4885LCK 2197/4885
US-11261197-B2 Neprilysin inhibitors MME, REN, ACE CYP2D6 523/4885KDM4E 2334/4885LCK 3511/4885
US-10744104-B2 Neprilysin inhibitors MME, REN, ACE CYP2D6 642/4885KDM4E 2305/4885LCK 3100/4885
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CYP2D6 676/4885KDM4E 2352/4885LCK 3673/4885
US-20210079017-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CYP2D6 523/4885KDM4E 2334/4885LCK 3511/4885
US-20200031847-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CYP2D6 523/4885KDM4E 2334/4885LCK 3511/4885
US-20210059966-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CYP2D6 642/4885KDM4E 2305/4885LCK 3100/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 CYP2D6 491/4885KDM4E 607/4885LCK 3017/4885
US-11851443-B2 Neprilysin inhibitors MME, REN, ACE CYP2D6 523/4885KDM4E 2334/4885LCK 3511/4885
US-12016835-B2 Neprilysin inhibitors MME, REN, ACE CYP2D6 642/4885KDM4E 2305/4885LCK 3100/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 CYP2D6 282/4885KDM4E 2301/4885LCK 3668/4885

“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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