SCHEMBL489367

SCHEMBL489367

[c]1cccnc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
TAAR1 Q96RJ0 3/20 0.40
HSD17B10 Q99714 1/20 0.38
MET P08581 1/20 0.38
LTA4H P09960 2/20 0.37
MAPK14 Q16539 1/20 0.37
PAX8 Q06710 1/20 0.37
FABP1 P07148 1/20 0.36
FABP6 P51161 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL6163079 0.86 CYP11B1 (0.38) HSD17B10LTA4HALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6167380 0.82 CYP11B1 (0.44) CYP1A2CYP2D6
SCHEMBL6166087 0.78 L3MBTL1 (0.44) TAAR1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL1202097 0.73 LTA4H (0.46) LTA4HMAPK14RAB9ASMN1; SMN2LMNA
SCHEMBL7765645 0.72 TAAR1 (0.44) CALM1TAAR1HSD17B10METLTA4H
SCHEMBL456153 0.70
SCHEMBL8490083 0.70
SCHEMBL596348 0.70
SCHEMBL2562082 0.70
SCHEMBL4029055 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261197-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-03-01 US claimed
US-20210079017-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-18 US claimed
US-9688692-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-27 US claimed
US-20170022219-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-26 US claimed
US-9334245-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-05-10 US claimed
EP-2675795-B1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-04-20 EP claimed
US-9198899-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US claimed
US-9150514-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-06 US claimed
US-9120747-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-09-01 US claimed
EP-2651896-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R & D IP LLC (US) 2015-08-12 EP claimed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 US claimed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 US claimed
WO-2009035543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-03-19 WO claimed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 US claimed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 US claimed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 WO claimed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 WO claimed
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 claimed
WO-2008097459-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-08-14 WO claimed
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 claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 CALM1 1746/4885TAAR1 116/4885HSD17B10 3026/4885
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 CALM1 2794/4885TAAR1 1207/4885HSD17B10 2814/4885
US-20170022219-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CALM1 1810/4885TAAR1 317/4885HSD17B10 3448/4885
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents AGTR1, AGTR2, REN CALM1 1237/4885TAAR1 49/4885HSD17B10 3719/4885
US-11261197-B2 Neprilysin inhibitors MME, REN, ACE CALM1 1810/4885TAAR1 317/4885HSD17B10 3448/4885
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CALM1 1498/4885TAAR1 129/4885HSD17B10 3570/4885
US-20210079017-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CALM1 1810/4885TAAR1 317/4885HSD17B10 3448/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 CALM1 1863/4885TAAR1 101/4885HSD17B10 3551/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 CALM1 2041/4885TAAR1 192/4885HSD17B10 3776/4885

“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.